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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:03:05 UTC

Update Date

2022-09-22 18:35:08 UTC

HMDB ID

HMDB0028949

Secondary Accession Numbers

HMDB28949

Metabolite Identification

Common Name

Lysylglutamine

Description

Lysylglutamine is a dipeptide composed of lysine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0028949
     RDKit          3D
Lysylglutamine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.0637    2.9178    0.1665 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    1.8317   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.6614    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939   -0.4943    0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2714   -0.2193    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5049   -1.5229    0.6984 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6324   -1.7649   -0.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.2999    1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -1.0778    2.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -1.3457    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2829   -1.1279    0.4609 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7144    0.1131   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1147    0.5466   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3748    1.7855   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6370    2.4384   -0.7775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4607    2.2796   -1.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -2.3282    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -3.3532   -0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -2.3633    0.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    2.4869    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    3.2441    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    2.1185    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    1.5356   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    0.8955    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    0.4086    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316   -0.8105   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -1.4067    1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.0819    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    0.5785    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -2.3208    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -2.6357   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.9433   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819   -1.5303   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.9411    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665   -0.0017   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    0.9380    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -0.2320   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535    0.7323    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951    3.1321   -1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3309    2.2170   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7978   -3.2236    0.8182 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  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 15 40  1  0
 19 41  1  0
M  END

      
  Mrv1652304062013582D          

 19 18  0  0  0  0            999 V2000
10001.807410000.0195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0931 9999.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9999.6070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.949310000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2353 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.519210000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8050 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.089010000.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9998.7821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.093110001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.522010001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.807410000.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.236410000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5220 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.9508 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.9509 9998.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.665310000.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
  1 14  1  6  0  0  0
 16 15  1  0  0  0  0
  1 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028949

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

> <INCHI_KEY>
OAPNERBWQWUPTI-YUMQZZPRSA-N

> <FORMULA>
C11H22N4O4

> <MOLECULAR_WEIGHT>
274.321

> <EXACT_MASS>
274.164105204

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
28.586519500010382

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid

> <ALOGPS_LOGP>
-3.43

> <JCHEM_LOGP>
-4.792840592027922

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.708424722998512

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.567547547959147

> <JCHEM_PKA_STRONGEST_BASIC>
10.212618144161915

> <JCHEM_POLAR_SURFACE_AREA>
161.53

> <JCHEM_REFRACTIVITY>
67.7195

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028949
     RDKit          3D
Lysylglutamine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.0637    2.9178    0.1665 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    1.8317   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.6614    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939   -0.4943    0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2714   -0.2193    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5049   -1.5229    0.6984 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6324   -1.7649   -0.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.2999    1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -1.0778    2.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -1.3457    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2829   -1.1279    0.4609 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7144    0.1131   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1147    0.5466   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3748    1.7855   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6370    2.4384   -0.7775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4607    2.2796   -1.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -2.3282    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -3.3532   -0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -2.3633    0.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    2.4869    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    3.2441    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    2.1185    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    1.5356   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    0.8955    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    0.4086    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316   -0.8105   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -1.4067    1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.0819    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    0.5785    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -2.3208    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -2.6357   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.9433   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819   -1.5303   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.9411    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665   -0.0017   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    0.9380    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -0.2320   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535    0.7323    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951    3.1321   -1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3309    2.2170   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7978   -3.2236    0.8182 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  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 15 40  1  0
 19 41  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8670.0408666.703   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8668.7078665.933   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8667.3738666.703   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.0388665.933   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8664.7058666.703   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8663.3738665.933   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8662.0368666.703   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8660.7038665.933   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8659.3668666.703   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8666.0388664.393   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8667.3738668.244   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8668.7078669.015   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8671.3748669.015   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8670.0408668.244   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8672.7088666.703   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8671.3748665.933   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8674.0418665.933   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8674.0428664.393   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0    8675.3758666.703   0.000  0.00  0.00           N+0
CONECT    1    2   14   16                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14   12   13    1                                                  
CONECT   15   16   17                                                       
CONECT   16   15    1                                                       
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028949
HETATM    1  N1  UNL     1       5.064   2.918   0.166  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.118   1.832  -0.068  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.613   0.661   0.744  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.694  -0.494   0.549  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.271  -0.219   0.975  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.505  -1.523   0.698  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.632  -1.765  -0.720  1.00  0.00           N  
HETATM    8  C6  UNL     1       0.092  -1.300   1.082  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.176  -1.078   2.275  1.00  0.00           O  
HETATM   10  N3  UNL     1      -0.895  -1.346   0.092  1.00  0.00           N  
HETATM   11  C7  UNL     1      -2.283  -1.128   0.461  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.714   0.113  -0.249  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.115   0.547  -0.027  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.375   1.786  -0.794  1.00  0.00           C  
HETATM   15  N4  UNL     1      -5.637   2.438  -0.777  1.00  0.00           N  
HETATM   16  O2  UNL     1      -3.461   2.280  -1.482  1.00  0.00           O  
HETATM   17  C11 UNL     1      -3.057  -2.328   0.169  1.00  0.00           C  
HETATM   18  O3  UNL     1      -2.537  -3.353  -0.333  1.00  0.00           O  
HETATM   19  O4  UNL     1      -4.411  -2.363   0.444  1.00  0.00           O  
HETATM   20  H1  UNL     1       6.015   2.487   0.139  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.901   3.244   1.150  1.00  0.00           H  
HETATM   22  H3  UNL     1       3.099   2.118   0.287  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.067   1.536  -1.117  1.00  0.00           H  
HETATM   24  H5  UNL     1       4.635   0.896   1.836  1.00  0.00           H  
HETATM   25  H6  UNL     1       5.616   0.409   0.368  1.00  0.00           H  
HETATM   26  H7  UNL     1       3.632  -0.811  -0.533  1.00  0.00           H  
HETATM   27  H8  UNL     1       4.013  -1.407   1.108  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.183   0.082   2.022  1.00  0.00           H  
HETATM   29  H10 UNL     1       1.791   0.579   0.336  1.00  0.00           H  
HETATM   30  H11 UNL     1       1.999  -2.321   1.257  1.00  0.00           H  
HETATM   31  H12 UNL     1       1.159  -2.636  -1.030  1.00  0.00           H  
HETATM   32  H13 UNL     1       1.329  -0.943  -1.286  1.00  0.00           H  
HETATM   33  H14 UNL     1      -0.682  -1.530  -0.908  1.00  0.00           H  
HETATM   34  H15 UNL     1      -2.366  -0.941   1.567  1.00  0.00           H  
HETATM   35  H16 UNL     1      -2.566  -0.002  -1.357  1.00  0.00           H  
HETATM   36  H17 UNL     1      -2.040   0.938   0.072  1.00  0.00           H  
HETATM   37  H18 UNL     1      -4.835  -0.232  -0.379  1.00  0.00           H  
HETATM   38  H19 UNL     1      -4.253   0.732   1.059  1.00  0.00           H  
HETATM   39  H20 UNL     1      -5.895   3.132  -1.497  1.00  0.00           H  
HETATM   40  H21 UNL     1      -6.331   2.217  -0.019  1.00  0.00           H  
HETATM   41  H22 UNL     1      -4.798  -3.224   0.818  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3   22   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7    8   30
CONECT    7   31   32
CONECT    8    9    9   10
CONECT   10   11   33
CONECT   11   12   17   34
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   15   16   16
CONECT   15   39   40
CONECT   17   18   18   19
CONECT   19   41
END

HMDB0028949
     RDKit          3D
Lysylglutamine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.0637    2.9178    0.1665 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    1.8317   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.6614    0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939   -0.4943    0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2714   -0.2193    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5049   -1.5229    0.6984 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6324   -1.7649   -0.7201 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.2999    1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -1.0778    2.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8945   -1.3457    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2829   -1.1279    0.4609 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7144    0.1131   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1147    0.5466   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3748    1.7855   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6370    2.4384   -0.7775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4607    2.2796   -1.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571   -2.3282    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -3.3532   -0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -2.3633    0.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    2.4869    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    3.2441    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    2.1185    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    1.5356   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348    0.8955    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    0.4086    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316   -0.8105   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -1.4067    1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.0819    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    0.5785    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -2.3208    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -2.6357   -1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.9433   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819   -1.5303   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -0.9411    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665   -0.0017   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    0.9380    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -0.2320   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535    0.7323    1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951    3.1321   -1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3309    2.2170   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7978   -3.2236    0.8182 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  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 15 40  1  0
 19 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
K-Q	ChEBI
KQ	ChEBI
L-Lys-L-GLN	ChEBI
Poly(lys-glu)	HMDB
Poly(lysyl-L-glutamine)	HMDB
Poly(lysly-glutamine)	HMDB
K-Q Dipeptide	HMDB
KQ Dipeptide	HMDB
L-Lysyl-L-glutamine	HMDB
Lys-GLN	HMDB
Lysine glutamine dipeptide	HMDB
Lysine-glutamine dipeptide	HMDB
Lysyl-glutamine	HMDB
N2-L-Lysyl-L-glutamine	HMDB
N2-Lysylglutamine	HMDB
Lysylglutamine	HMDB

Chemical Formula

C₁₁H₂₂N₄O₄

Average Molecular Weight

274.321

Monoisotopic Molecular Weight

274.164105204

IUPAC Name

(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid

Traditional Name

(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid

CAS Registry Number

92352-82-4

SMILES

NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

InChI Key

OAPNERBWQWUPTI-YUMQZZPRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
N-acyl-l-glutamine
Alpha-amino acid or derivatives
N-acyl-amine
Fatty acyl
Fatty acid
Fatty amide
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73600 )

Ontology

Not Available

Endogenous (HMDB: HMDB0028949)

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	-4.76	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.43 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-4.8	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	161.53 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	67.72 m³·mol⁻¹	ChemAxon
Polarizability	28.59 Å³	ChemAxon
Number of Rings	0	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
DeepCCS	[M+H]+	172.543	30932474
DeepCCS	[M-H]-	170.184	30932474
DeepCCS	[M-2H]-	203.071	30932474
DeepCCS	[M+Na]+	178.636	30932474

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.	1.46 minutes	32390414
Predicted by Siyang on May 30, 2022	8.9761 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.37 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	460.2 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	382.9 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	223.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	56.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	167.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	57.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	298.0 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	255.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1088.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	556.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	44.2 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	583.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	178.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	248.5 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1027.4 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	824.1 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	440.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysylglutamine	NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3339.2	Standard polar	33892256
Lysylglutamine	NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2564.1	Standard non polar	33892256
Lysylglutamine	NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2777.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysylglutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN	2590.9	Semi standard non polar	33892256
Lysylglutamine,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2746.3	Semi standard non polar	33892256
Lysylglutamine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2665.5	Semi standard non polar	33892256
Lysylglutamine,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2680.2	Semi standard non polar	33892256
Lysylglutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(N)=O)C(=O)O	2581.5	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2685.3	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2573.6	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2795.0	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2642.9	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2644.7	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2554.5	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2771.0	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2651.0	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2635.7	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2604.4	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2665.0	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2547.2	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2743.3	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2571.4	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2561.2	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2467.5	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2799.6	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2687.4	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2826.5	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2717.4	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2898.1	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2700.7	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2690.3	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2616.6	Standard non polar	33892256
Lysylglutamine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2743.1	Semi standard non polar	33892256
Lysylglutamine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2704.8	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2752.1	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2714.4	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2886.2	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2842.9	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2965.4	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2784.0	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2952.5	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2801.6	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2750.5	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2729.1	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2969.7	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2818.8	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2738.4	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2784.2	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2911.2	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2793.3	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2833.7	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2717.5	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2823.0	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2784.4	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2699.5	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2732.4	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2838.6	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2715.9	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2843.4	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2816.3	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2762.5	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2688.0	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2711.6	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2706.9	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2761.0	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2679.1	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2623.6	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2643.3	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2809.8	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2697.9	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2806.3	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2684.5	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2629.3	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2599.9	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2904.5	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2689.1	Standard non polar	33892256
Lysylglutamine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2678.0	Semi standard non polar	33892256
Lysylglutamine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2639.9	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2872.4	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2844.2	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2908.3	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2808.1	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2713.6	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2739.8	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2790.8	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2734.6	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2834.0	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2745.5	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2994.0	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2900.4	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2950.0	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2933.5	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2784.4	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2877.4	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2930.5	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2903.7	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3085.7	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2897.2	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2897.7	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2809.4	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2799.1	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2794.2	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2858.1	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2829.0	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3053.3	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2885.8	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #22	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.7	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #22	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2856.1	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2801.8	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2857.1	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2935.0	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2893.7	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2776.6	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2822.5	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.3	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2837.5	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2655.3	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2756.2	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2813.1	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2827.7	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2948.5	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2811.4	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2706.0	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2784.3	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2870.8	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2802.8	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2699.9	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2748.4	Standard non polar	33892256
Lysylglutamine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2944.7	Semi standard non polar	33892256
Lysylglutamine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2779.5	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2967.4	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2897.6	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2771.7	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2870.0	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3067.8	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2897.2	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2864.5	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2831.0	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2866.8	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2846.2	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3073.6	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2961.1	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2921.8	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2932.4	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3083.0	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2991.6	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #17	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2876.6	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #17	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2958.2	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3024.0	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2997.7	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2854.4	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2942.8	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2896.4	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2938.1	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3046.5	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2922.7	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3004.1	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2939.3	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2918.2	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2932.9	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2738.0	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2881.7	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2878.5	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2903.7	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2919.6	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2910.9	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2747.9	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2844.9	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2802.4	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2863.8	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3042.3	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2896.7	Standard non polar	33892256
Lysylglutamine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2861.7	Semi standard non polar	33892256
Lysylglutamine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2871.1	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3067.2	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2963.1	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3211.3	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3058.8	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3050.4	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3008.0	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3071.6	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3021.5	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2988.6	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3032.6	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2892.9	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2944.1	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3065.0	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2994.7	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2879.9	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2963.1	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2995.0	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2999.6	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2830.0	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2947.5	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2946.5	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.2	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3012.4	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2960.7	Standard non polar	33892256
Lysylglutamine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3066.8	Semi standard non polar	33892256
Lysylglutamine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2939.0	Standard non polar	33892256
Lysylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3216.4	Semi standard non polar	33892256
Lysylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3065.6	Standard non polar	33892256
Lysylglutamine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3041.7	Semi standard non polar	33892256
Lysylglutamine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3021.5	Standard non polar	33892256
Lysylglutamine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3094.2	Semi standard non polar	33892256
Lysylglutamine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3032.2	Standard non polar	33892256
Lysylglutamine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3026.5	Semi standard non polar	33892256
Lysylglutamine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3039.2	Standard non polar	33892256
Lysylglutamine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3239.7	Semi standard non polar	33892256
Lysylglutamine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3105.7	Standard non polar	33892256
Lysylglutamine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3275.5	Semi standard non polar	33892256
Lysylglutamine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3119.6	Standard non polar	33892256
Lysylglutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN	2858.7	Semi standard non polar	33892256
Lysylglutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2984.1	Semi standard non polar	33892256
Lysylglutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2913.1	Semi standard non polar	33892256
Lysylglutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2951.3	Semi standard non polar	33892256
Lysylglutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(N)=O)C(=O)O	2839.6	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3214.0	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2935.0	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3259.5	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3005.6	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3145.5	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2926.7	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3262.5	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3003.8	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3162.7	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2953.8	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3161.7	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2943.5	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3234.7	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2966.3	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3077.0	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2871.8	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3298.2	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3073.1	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3335.4	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3039.4	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3359.1	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3033.1	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3207.2	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2976.4	Standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	3231.9	Semi standard non polar	33892256
Lysylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	3039.5	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3448.8	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3194.2	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3590.6	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3272.8	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3632.0	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3299.5	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3651.0	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3299.0	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3495.8	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3218.5	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3654.6	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3280.2	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3487.5	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3229.9	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3639.7	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3275.2	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3515.8	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3214.1	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3537.7	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3257.1	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3426.3	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3190.9	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3519.2	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3209.0	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3560.2	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3258.0	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3448.6	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3183.2	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3422.9	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3195.6	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3476.1	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3173.9	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3382.0	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3147.3	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3484.1	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3230.1	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3493.3	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3184.5	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3374.9	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3137.8	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3579.0	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.2	Standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.7	Semi standard non polar	33892256
Lysylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3170.9	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3739.5	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3410.5	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)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	3836.0	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)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	3435.0	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3661.2	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.1	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3680.6	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.8	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3736.1	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3399.3	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3880.4	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3477.7	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3895.6	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3482.0	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3410.1	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3866.1	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3483.1	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3930.0	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3501.6	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3798.1	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3433.5	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3725.9	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3401.5	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)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	3798.6	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)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	3442.0	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3903.5	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3502.5	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.5	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3439.1	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3752.9	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3447.1	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3824.0	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3476.2	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3691.0	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3419.7	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.4	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3421.2	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.3	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3363.7	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3751.4	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3408.8	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3833.7	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3416.4	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3653.9	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3387.0	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3788.2	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3420.2	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3637.4	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3382.0	Standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3823.8	Semi standard non polar	33892256
Lysylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3428.8	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4064.8	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3594.3	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3938.3	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4130.8	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.1	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.4	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3578.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.9	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3592.9	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4140.6	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3672.7	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4018.4	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3605.2	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4173.1	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3661.7	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)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	4029.1	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)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	3622.4	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4163.4	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3679.9	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3982.5	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3619.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)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	4071.6	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)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	3609.2	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	4088.1	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3646.3	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4048.0	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3647.6	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3986.1	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3640.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3858.5	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3557.3	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4012.9	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3607.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4030.1	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3614.1	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3868.5	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.3	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.2	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3580.0	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4099.9	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3625.2	Standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3985.9	Semi standard non polar	33892256
Lysylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3587.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylglutamine 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 - Lysylglutamine 10V, Negative-QTOF	splash10-00di-0090000000-dccc397ca2c6afb13bae	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamine 20V, Negative-QTOF	splash10-002g-4910000000-a91eae6fb77fe22afec1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamine 40V, Negative-QTOF	splash10-0f96-8900000000-ccf5365f007e1da521bb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamine 10V, Positive-QTOF	splash10-004i-0090000000-ba9f91e2b219ab816a16	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamine 20V, Positive-QTOF	splash10-0fai-4930000000-e112307ed109d81db214	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamine 40V, Positive-QTOF	splash10-0a4i-9300000000-c31e336a726b51996761	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details

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

FDB111972

KNApSAcK ID

Not Available

Chemspider ID

170097

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

196305

PDB ID

Not Available

ChEBI ID

73600

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Kageyama T, Takahashi K: Monkey pepsinogens and pepsins. IV. The amino acid sequence of the activation peptide segment of Japanese monkey pepsinogen. J Biochem. 1980 Jul;88(1):9-16. [PubMed:6773933 ]

Showing metabocard for Lysylglutamine (HMDB0028949)

MOL for HMDB0028949 (Lysylglutamine)

3D MOL for HMDB0028949 (Lysylglutamine)

3D SDF for HMDB0028949 (Lysylglutamine)

3D-SDF for HMDB0028949 (Lysylglutamine)

PDB for HMDB0028949 (Lysylglutamine)

3D PDB for HMDB0028949 (Lysylglutamine)

SMILES for HMDB0028949 (Lysylglutamine)

INCHI for HMDB0028949 (Lysylglutamine)

Structure for HMDB0028949 (Lysylglutamine)

3D Structure for HMDB0028949 (Lysylglutamine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra