HMDB0257707 RDKit 3D (2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid 46 46 0 0 0 0 0 0 0 0999 V2000 6.2998 1.2811 -1.6416 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 1.4430 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.0996 0.6772 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 0.9955 -0.2527 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 0.3191 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 -0.9206 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 -0.8248 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 -0.1218 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -0.0863 1.0492 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.4499 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 -1.5493 2.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6389 -0.8778 1.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -1.2841 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 -2.2483 0.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 -0.5818 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -0.7631 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 -0.1476 -1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 0.7074 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 0.8975 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 0.2690 1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 1.2416 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 2.2519 0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 1.4509 -2.0469 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 0.4986 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 1.9849 -2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2291 1.7771 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 2.8973 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 0.9616 -1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 -0.0511 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 -1.6900 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -1.4208 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -0.4363 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -1.9007 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -0.7404 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 0.5173 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 -1.9648 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -1.8898 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 -1.1863 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 -2.6516 2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 -0.0582 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.4261 -1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4836 -0.2794 -2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7236 1.1963 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9071 1.5516 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8893 0.4282 2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 2.2484 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 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 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 8 21 1 0 21 22 2 0 21 23 1 0 20 15 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 23 46 1 0 M END