HMDB0241881 RDKit 3D (2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl... 64 63 0 0 0 0 0 0 0 0999 V2000 -5.3176 -0.9990 2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8128 0.2289 1.6366 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0998 1.0713 2.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1507 0.0805 1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9485 1.0049 0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9648 0.2785 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5862 -0.7035 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 -1.3809 -1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -1.0992 -1.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9024 -2.3424 -2.7554 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2139 1.1879 -0.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 1.5050 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 0.9227 0.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 2.5060 -1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1831 2.5902 -1.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 1.4599 -1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 0.3354 -1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 1.5489 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 2.7191 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 2.7126 -3.0945 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 1.5211 -3.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 1.8423 -3.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1347 0.3010 -0.8554 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -0.2588 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 0.3390 1.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -1.5730 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -1.8959 1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9987 -3.1957 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 -3.4627 2.6064 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 -4.3135 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 -5.2179 1.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 -4.4461 -0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 -1.0632 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0039 -1.8097 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 -1.2355 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1513 2.1089 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0657 0.7412 3.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2582 0.9749 3.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1816 -0.5517 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8249 -0.3854 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5305 1.1083 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 1.6039 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5782 1.6818 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -0.2301 0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 -1.5464 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2866 -0.2049 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 2.2139 -2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 3.5074 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 3.4911 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 1.7742 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 3.6580 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 2.8029 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 0.4882 -3.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 1.6489 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 2.0286 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 -0.2709 -1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2789 -1.5473 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -2.3188 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 -1.9422 2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 -1.0812 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -3.0653 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 -2.5435 3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 -4.0540 3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 -5.3314 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 28 61 1 0 29 62 1 0 29 63 1 0 32 64 1 0 M CHG 2 2 1 10 -1 M END