HMDB0257607 RDKit 3D (2S)-2-[[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl]-(2-benzamidoethyl)amino]... 59 60 0 0 0 0 0 0 0 0999 V2000 -3.0141 3.0291 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 3.3366 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 4.8072 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 3.1354 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 1.6477 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 1.7043 -1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 1.5220 -2.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1488 1.9830 -0.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 0.8454 0.5156 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 0.8678 1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 -0.1642 2.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.5615 1.3013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -1.1695 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 -1.3748 -0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 -1.5661 -0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8066 -1.4023 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 -1.8093 -1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 -2.3878 -2.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -2.5566 -2.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -2.1508 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 -0.0136 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 -0.0248 -0.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -0.8971 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 -0.9148 1.7246 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6655 -2.3594 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -2.7754 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6675 -3.3255 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -3.5717 -1.1679 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -3.2020 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 -2.7108 -1.2466 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 3.9718 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 2.4642 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 2.4975 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 2.7425 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 5.0190 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8825 5.4129 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 5.0253 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 3.4996 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 3.6872 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 1.4312 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 1.8634 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 1.8712 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.9398 2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 -1.1191 2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 0.1752 3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -0.4212 1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -0.9542 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8831 -1.6650 -0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4544 -2.7019 -3.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -3.0066 -3.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -2.3122 -2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 -0.6757 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -0.1593 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -0.8502 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -2.5111 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 -3.0140 2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2496 -3.5097 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 -3.3038 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0979 -2.3372 -1.5825 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 6 7 2 0 6 8 1 0 5 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 9 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 20 15 1 0 30 26 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 8 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 25 55 1 0 25 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 M END