HMDB0250026 RDKit 3D (2s)-2-[[(2s)-2-Acetamido-5-[[n-(Methylcarbamoyl)carbamimidoyl]amino]pentanoy... 61 61 0 0 0 0 0 0 0 0999 V2000 8.1745 0.7217 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9626 0.5081 1.4871 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 1.5354 1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1468 2.5887 2.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 1.4204 0.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 2.3173 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 3.5257 1.3786 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 2.1329 -0.1022 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 2.0875 -0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.6578 -1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 -0.0851 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 -1.5257 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 -2.1221 -0.9546 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -2.8200 -1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -3.7298 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -2.7335 -3.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -1.3311 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -1.5196 -1.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -0.9776 0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -0.7595 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -0.7787 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 0.4824 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 0.7688 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 0.2529 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 0.4613 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9103 1.1680 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8562 1.6882 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5818 1.4634 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1008 -1.9214 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 -2.1212 -0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 -2.8253 0.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 0.3601 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 0.2360 3.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 1.8347 2.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -0.3825 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 0.5061 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 3.4178 2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 4.4481 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 2.6459 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 2.5405 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 0.1418 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 0.6923 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.3370 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 -0.2265 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -2.0083 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 -1.5451 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -4.7194 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 -3.9433 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -3.2709 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -1.2679 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.1439 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 0.3540 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1264 -0.8643 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 1.3292 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 0.6215 1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 -0.3088 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4383 0.0541 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9444 1.3301 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1077 2.2341 -2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 1.8933 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 -3.8257 0.7503 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 6 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 12 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 21 29 1 0 29 30 2 0 29 31 1 0 28 23 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 5 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 15 47 1 0 15 48 1 0 15 49 1 0 20 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 31 61 1 0 M END