HMDB0256152 RDKit 3D N-(2-Benzyl-3-((2-amino-4-methylpentyl)dithio)-1-oxopropyl)glycine benzyl ester 66 67 0 0 0 0 0 0 0 0999 V2000 -6.3483 1.5419 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3011 1.9369 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 3.4270 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.5005 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 0.0201 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -0.4586 1.9338 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -0.1836 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -1.8892 1.7651 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -3.1483 0.1097 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4106 -3.3829 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 -2.3827 -1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.9844 -2.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 -1.3879 -2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.2696 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 -1.7305 -2.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5269 -0.3829 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4348 0.4754 -2.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -0.0181 -2.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 -1.2655 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 -0.1050 -1.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 -1.4615 -0.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1283 -1.6595 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 -1.1460 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -1.4831 -1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 -0.3736 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 0.0160 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 0.9141 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 1.9672 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7602 2.8349 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0141 2.7304 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3882 1.6790 2.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5744 0.8195 1.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1927 2.2698 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7078 0.5248 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 1.5686 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 1.4020 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 3.6321 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8848 3.9625 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 3.8065 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 1.8904 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7147 2.0463 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9878 -0.5600 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 -0.5298 2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2623 -1.2973 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 0.1998 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 0.3902 2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -4.4079 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -3.6333 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0787 -2.9842 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 -1.3735 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 -2.9317 -3.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 -3.3368 -2.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1427 -2.3916 -2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 0.0543 -2.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 1.5445 -2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 0.6464 -2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -0.1176 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 -2.7597 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.1273 1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 0.5517 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9518 -0.8492 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7499 2.0454 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2318 3.6353 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 3.4316 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5629 1.5542 3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 -0.0065 2.3638 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 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 18 13 1 0 32 27 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 14 52 1 0 15 53 1 0 16 54 1 0 17 55 1 0 18 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 26 60 1 0 26 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 32 66 1 0 M END