HMDB0252503 RDKit 3D Methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amin... 59 60 0 0 0 0 0 0 0 0999 V2000 -5.3498 -3.1663 -1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 -1.7836 -0.9526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -1.3924 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 -2.3457 -0.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2438 -0.0064 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 0.6831 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 2.1312 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 3.0547 -0.8793 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9077 3.0828 -1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -0.0160 -0.2335 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 0.2342 0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 0.4978 2.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 0.2132 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 1.3986 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 1.4980 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 0.4016 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 0.4557 0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 1.6690 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 2.2574 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5699 1.2507 -1.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7703 3.5777 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5638 3.3930 -0.7977 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 -0.7628 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 -0.8740 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -2.1890 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 -2.8796 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -4.1674 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5443 -4.7440 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 -4.0551 1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 -2.7674 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1843 -3.5955 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6826 -3.7371 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 -3.2873 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 0.6337 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 0.1679 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 0.4876 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6388 2.5160 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 2.3799 1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 2.4492 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 4.1297 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1017 2.8470 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.2672 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 2.2488 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 2.3967 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -0.4360 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 2.4421 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 1.5009 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.3282 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 0.5951 -2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3133 0.6785 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 4.3392 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 3.8733 -2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 2.1004 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 -1.6732 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 -2.4670 -1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3432 -4.7355 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -5.7648 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -4.5233 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 -2.2763 2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 5 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 16 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 24 13 1 0 30 25 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 14 43 1 0 15 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 30 59 1 0 M END