Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-02-03 10:33:25 UTC

Update Date

2021-09-14 15:29:57 UTC

HMDB ID

HMDB0011655

Secondary Accession Numbers

HMDB11655

Metabolite Identification

Common Name

2-(3-Carboxy-3-aminopropyl)-L-histidine

Description

2-(3-Carboxy-3-aminopropyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0011655
     RDKit          3D
2-(3-Carboxy-3-aminopropyl)-L-histidine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -4.1864   -1.3177    1.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -0.6804    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057   -0.6281   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    0.1226    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    0.0994   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.4818   -1.4252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603   -0.2869   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    0.4452   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.8960   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.2118    0.0839 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2043   -0.3688    1.3771 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.1443    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224    0.2942    1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    0.3200   -1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.6757    0.2054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.6799    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1521    1.1684    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7781    1.3934   -0.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -1.9304    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751   -0.6436    2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.3117   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.1498   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -1.6581   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    1.1748    0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624   -0.3092    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -0.6248   -2.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    1.8628   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    1.0142   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -1.1300   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -1.1111    1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658    0.5286    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867   -0.1299   -1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908    1.1935    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6943    0.9611   -1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  8 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15  5  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  6
 11 30  1  0
 11 31  1  0
 14 32  1  0
 15 33  1  0
 18 34  1  0
M  END


  Mrv0541 02241201492D          

 18 18  0  0  1  0            999 V2000
   13.7856   -6.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5309   -6.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0830   -5.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8280   -4.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -3.9780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8280   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0434   -3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0434   -4.3905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3760   -3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6224   -3.4160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9549   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   -2.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2013   -3.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5361   -4.2367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5925   -6.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8472   -7.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1447   -6.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2334   -7.4405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18  1  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011655

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1

> <INCHI_KEY>
CJCSNWWKPUXVRD-MLWJPKLSSA-N

> <FORMULA>
C10H16N4O4

> <MOLECULAR_WEIGHT>
256.2584

> <EXACT_MASS>
256.11715502

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
25.5437504836479

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}butanoic acid

> <ALOGPS_LOGP>
-4.08

> <JCHEM_LOGP>
-6.493360252363875

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.232660542859342

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.629480153597954

> <JCHEM_PKA_STRONGEST_BASIC>
9.77576919184479

> <JCHEM_POLAR_SURFACE_AREA>
155.32

> <JCHEM_REFRACTIVITY>
61.1437

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011655
     RDKit          3D
2-(3-Carboxy-3-aminopropyl)-L-histidine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -4.1864   -1.3177    1.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -0.6804    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057   -0.6281   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    0.1226    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    0.0994   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.4818   -1.4252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603   -0.2869   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    0.4452   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.8960   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.2118    0.0839 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2043   -0.3688    1.3771 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.1443    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224    0.2942    1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    0.3200   -1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.6757    0.2054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.6799    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1521    1.1684    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7781    1.3934   -0.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -1.9304    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751   -0.6436    2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.3117   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.1498   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -1.6581   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    1.1748    0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624   -0.3092    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -0.6248   -2.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    1.8628   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    1.0142   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -1.1300   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -1.1111    1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658    0.5286    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867   -0.1299   -1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908    1.1935    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6943    0.9611   -1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  8 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15  5  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  6
 11 30  1  0
 11 31  1  0
 14 32  1  0
 15 33  1  0
 18 34  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      25.733 -12.745   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      25.258 -11.280   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.288 -10.136   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.812  -8.671   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      26.717  -7.426   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      25.812  -6.180   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.348  -6.656   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      24.348  -8.196   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      23.102  -5.750   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.695  -6.377   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.449  -5.471   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      20.610  -3.940   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      19.042  -6.097   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      21.534  -7.909   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      27.239 -13.065   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      27.715 -14.530   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      28.270 -11.921   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      24.702 -13.889   0.000  0.00  0.00           N+0
CONECT    1    2   15   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    4    7                                                       
CONECT    9    7   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10                                                            
CONECT   15    1   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    1                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

COMPND    HMDB0011655
HETATM    1  N1  UNL     1      -4.186  -1.318   1.563  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.179  -0.680   0.280  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.806  -0.628  -0.342  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.815   0.123   0.491  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.511   0.099  -0.231  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.225  -0.482  -1.425  1.00  0.00           N  
HETATM    7  C5  UNL     1       1.060  -0.287  -1.745  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.596   0.445  -0.708  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.001   0.896  -0.631  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.783  -0.212   0.084  1.00  0.00           C  
HETATM   11  N3  UNL     1       3.204  -0.369   1.377  1.00  0.00           N  
HETATM   12  C9  UNL     1       5.193   0.144   0.074  1.00  0.00           C  
HETATM   13  O1  UNL     1       5.822   0.294   1.142  1.00  0.00           O  
HETATM   14  O2  UNL     1       5.848   0.320  -1.126  1.00  0.00           O  
HETATM   15  N4  UNL     1       0.639   0.676   0.205  1.00  0.00           N  
HETATM   16  C10 UNL     1      -4.734   0.680   0.300  1.00  0.00           C  
HETATM   17  O3  UNL     1      -5.152   1.168   1.361  1.00  0.00           O  
HETATM   18  O4  UNL     1      -4.778   1.393  -0.886  1.00  0.00           O  
HETATM   19  H1  UNL     1      -3.374  -1.930   1.714  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.375  -0.644   2.332  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.808  -1.312  -0.404  1.00  0.00           H  
HETATM   22  H4  UNL     1      -2.883  -0.150  -1.331  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.421  -1.658  -0.503  1.00  0.00           H  
HETATM   24  H6  UNL     1      -2.163   1.175   0.655  1.00  0.00           H  
HETATM   25  H7  UNL     1      -1.662  -0.309   1.486  1.00  0.00           H  
HETATM   26  H8  UNL     1       1.564  -0.625  -2.615  1.00  0.00           H  
HETATM   27  H9  UNL     1       3.085   1.863  -0.065  1.00  0.00           H  
HETATM   28  H10 UNL     1       3.396   1.014  -1.653  1.00  0.00           H  
HETATM   29  H11 UNL     1       3.602  -1.130  -0.539  1.00  0.00           H  
HETATM   30  H12 UNL     1       3.630  -1.111   1.959  1.00  0.00           H  
HETATM   31  H13 UNL     1       3.066   0.529   1.866  1.00  0.00           H  
HETATM   32  H14 UNL     1       5.587  -0.130  -1.996  1.00  0.00           H  
HETATM   33  H15 UNL     1       0.691   1.194   1.109  1.00  0.00           H  
HETATM   34  H16 UNL     1      -4.694   0.961  -1.797  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   16   21
CONECT    3    4   22   23
CONECT    4    5   24   25
CONECT    5    6    6   15
CONECT    6    7
CONECT    7    8    8   26
CONECT    8    9   15
CONECT    9   10   27   28
CONECT   10   11   12   29
CONECT   11   30   31
CONECT   12   13   13   14
CONECT   14   32
CONECT   15   33
CONECT   16   17   17   18
CONECT   18   34
END

HMDB0011655
     RDKit          3D
2-(3-Carboxy-3-aminopropyl)-L-histidine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -4.1864   -1.3177    1.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1792   -0.6804    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8057   -0.6281   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    0.1226    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    0.0994   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.4818   -1.4252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603   -0.2869   -1.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    0.4452   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.8960   -0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.2118    0.0839 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2043   -0.3688    1.3771 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    0.1443    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224    0.2942    1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    0.3200   -1.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    0.6757    0.2054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.6799    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1521    1.1684    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7781    1.3934   -0.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -1.9304    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751   -0.6436    2.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.3117   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.1498   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -1.6581   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1630    1.1748    0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624   -0.3092    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -0.6248   -2.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    1.8628   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    1.0142   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -1.1300   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299   -1.1111    1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658    0.5286    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867   -0.1299   -1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908    1.1935    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6943    0.9611   -1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  8 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 15  5  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  6
 11 30  1  0
 11 31  1  0
 14 32  1  0
 15 33  1  0
 18 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(3-Carboxy-3-aminopropyl)-L-histidine	ChEBI
2-(3-amino-3-Carboxypropyl)-L-histidine	HMDB
2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoate	HMDB
2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoic acid	HMDB

Chemical Formula

C₁₀H₁₆N₄O₄

Average Molecular Weight

256.2584

Monoisotopic Molecular Weight

256.11715502

IUPAC Name

2-amino-4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}butanoic acid

Traditional Name

2-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}butanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O

InChI Identifier

InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1

InChI Key

CJCSNWWKPUXVRD-MLWJPKLSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Histidine and derivatives

Alternative Parents

Substituents

Histidine or derivatives
Alpha-amino acid
L-alpha-amino acid
Imidazolyl carboxylic acid derivative
Aralkylamine
Dicarboxylic acid or derivatives
Azole
Imidazole
Heteroaromatic compound
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:17144 )
L-histidine derivative (CHEBI:17144 )

Ontology

Not Available

Endogenous (HMDB: HMDB0011655)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	8.71 g/L	ALOGPS
logP	-4.1	ALOGPS
logP	-6.5	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.63	ChemAxon
pKa (Strongest Basic)	9.78	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.32 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	61.14 m³·mol⁻¹	ChemAxon
Polarizability	25.54 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	160.072	31661259
DarkChem	[M-H]-	158.458	31661259
DeepCCS	[M+H]+	158.583	30932474
DeepCCS	[M-H]-	156.225	30932474
DeepCCS	[M-2H]-	189.113	30932474
DeepCCS	[M+Na]+	164.676	30932474
AllCCS	[M+H]+	156.9	32859911
AllCCS	[M+H-H2O]+	153.6	32859911
AllCCS	[M+NH4]+	160.0	32859911
AllCCS	[M+Na]+	160.8	32859911
AllCCS	[M-H]-	158.0	32859911
AllCCS	[M+Na-2H]-	158.2	32859911
AllCCS	[M+HCOO]-	158.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.47 minutes	32390414
Predicted by Siyang on May 30, 2022	10.5843 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.63 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	652.3 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	421.0 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	310.2 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	17.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	186.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	121.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	361.3 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	231.7 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1386.5 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	605.0 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	47.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	668.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	226.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	423.2 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	964.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	977.8 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	660.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-(3-Carboxy-3-aminopropyl)-L-histidine	NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	3521.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine	NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	2328.9	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine	NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	3008.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)[NH]1	2622.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1	2636.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O	2748.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O	2745.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #5	C[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(N)C(=O)O	2763.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1	2549.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #10	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O	2774.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C	2834.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O	2774.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2666.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2688.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C	2687.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #5	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2689.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2701.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C	2681.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O	2778.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #9	C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C	2864.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2605.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2475.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3722.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2836.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2584.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	4009.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2705.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2542.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3900.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2794.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2619.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	3909.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2707.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2554.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3846.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2883.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2662.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	3716.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2859.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2649.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	3703.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O	2786.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O	2580.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O	3702.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17	C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2905.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17	C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2653.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17	C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4047.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18	C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2899.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18	C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2655.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18	C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4103.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2602.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2493.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3816.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2622.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2490.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4172.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2720.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2546.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	3580.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2806.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2587.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	4084.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2694.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2547.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3974.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2819.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2597.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	3834.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2713.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2540.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3778.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2732.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2546.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	3577.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2660.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2586.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3161.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2861.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2682.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	3585.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2836.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2677.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	3351.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2813.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2683.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3299.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2755.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2617.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3282.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2862.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2686.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3733.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2836.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2710.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	3642.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2959.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2794.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	3439.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2928.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2732.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3435.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2910.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2737.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3425.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2768.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2609.9	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3579.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2670.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2563.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3497.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2757.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	2633.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1	3661.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2661.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2586.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3576.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2827.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2688.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3315.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2821.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2670.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	3342.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2736.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2626.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3289.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2844.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2700.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3796.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2813.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2700.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2991.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2896.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2740.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3135.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2872.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2754.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3083.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3062.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2871.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12	C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3253.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2789.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2690.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2982.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2718.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2652.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2939.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2832.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2693.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3397.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2821.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	2718.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C	3463.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2983.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2806.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3133.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2880.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2756.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3107.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2877.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2746.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3122.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2976.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2806.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3131.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3015.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2800.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2858.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2884.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2764.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2840.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2874.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2766.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3	C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2832.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3060.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2870.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2974.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3059.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2869.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2966.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3115.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2875.9	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2793.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)[NH]1	2895.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1	2897.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O	2995.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O	2997.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(N)C(=O)O	2975.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1	3012.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3245.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3259.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3240.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3148.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3151.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C	3165.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3148.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3167.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C	3168.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O	3238.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3278.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3272.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3087.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3755.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3461.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3177.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3386.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3132.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3858.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3449.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3198.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3857.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3399.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3161.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3825.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3514.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3250.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3714.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3517.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3246.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3701.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3490.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3184.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3694.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3547.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3208.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3923.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3556.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3236.9	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3957.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3275.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3105.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3821.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3316.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3100.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4109.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3391.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3159.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3627.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3196.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3973.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3377.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3153.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3910.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3445.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3169.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3808.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3395.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3140.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3777.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3394.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3164.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3621.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3488.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3312.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3438.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3702.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3363.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3697.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3690.0	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3418.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3533.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3669.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3401.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3498.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3608.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3327.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3498.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3386.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3783.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3709.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3398.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3730.1	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3815.1	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3487.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3581.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3793.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3415.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3584.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3802.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3425.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3574.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3342.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3679.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3521.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3287.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3638.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3619.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3365.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3728.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3525.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3309.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3686.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3660.4	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3400.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3512.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3694.6	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3406.1	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3528.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3603.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3330.6	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3507.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3706.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3404.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3822.8	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3840.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3534.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3370.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3927.9	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3559.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3439.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3919.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3554.8	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3410.0	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4116.2	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3634.9	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3484.5	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3823.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3528.7	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3362.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3702.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3463.2	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3367.7	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3882.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3521.3	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.6	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3883.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3550.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3656.9	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3986.8	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3620.0	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3416.3	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3899.5	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3548.5	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3427.4	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3923.7	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3565.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3438.2	Standard polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3992.3	Semi standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3627.4	Standard non polar	33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-02mu-5940000000-c3310ff9a24aa7c862e6	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine GC-MS (2 TMS) - 70eV, Positive	splash10-001i-3592000000-a21b1849129fc09978d0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Positive-QTOF	splash10-03dl-0490000000-b169c82b73ecee75fb2e	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Positive-QTOF	splash10-02tc-0930000000-88b257572c5443b2894a	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Positive-QTOF	splash10-00kr-1900000000-34de02163a51cec0b920	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Negative-QTOF	splash10-0a4i-0190000000-6fb3de3d4334b0f51e46	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Negative-QTOF	splash10-0a4i-1790000000-4f147519032e14741316	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Negative-QTOF	splash10-00di-7910000000-b899dda5046bb04ed5ec	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Negative-QTOF	splash10-0a4r-0190000000-c2328930b95b5240880d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Negative-QTOF	splash10-052u-1950000000-d39ef30f4993bac546fc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Negative-QTOF	splash10-01bc-2900000000-34f57b5e9afde72e67e1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Positive-QTOF	splash10-0a4i-0090000000-6b70ce39004c223ed447	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Positive-QTOF	splash10-01vo-0590000000-de801a6acbb75116fe8e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Positive-QTOF	splash10-00y0-1900000000-c344db411f89e38f99b3	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028346

KNApSAcK ID

Not Available

Chemspider ID

389308

KEGG Compound ID

C04441

BioCyc ID

2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440342

PDB ID

Not Available

ChEBI ID

17144

Food Biomarker Ontology

Not Available

VMH ID

M02699

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Diphthine synthase

General function:: Involved in methyltransferase activity
Specific function:: S-adenosyl-L-methionine-dependent methyltransferase that catalyzes the trimethylation of the amino group of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine. The three successive methylation reactions represent the second step of diphthamide biosynthesis (By similarity).
Gene Name:: DPH5
Uniprot ID:: Q9H2P9
Molecular weight:: 31651.17

Reactions

S-Adenosylmethionine + 2-(3-Carboxy-3-aminopropyl)-L-histidine → S-Adenosylhomocysteine + 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine	details

Showing metabocard for 2-(3-Carboxy-3-aminopropyl)-L-histidine (HMDB0011655)

MOL for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

3D MOL for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

3D SDF for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

3D-SDF for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

PDB for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

3D PDB for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

SMILES for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

INCHI for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

Structure for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

3D Structure for HMDB0011655 (2-(3-Carboxy-3-aminopropyl)-L-histidine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions