HMDB0250214 RDKit 3D Benzoyl-prolyl-phenylalanyl-arginine-p-nitroanilide 85 88 0 0 0 0 0 0 0 0999 V2000 -7.1207 -3.6154 -1.2573 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7124 -2.4003 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9306 -2.4456 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1731 -1.2678 -1.0444 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 -1.0334 -1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7966 -1.5658 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8128 -0.8242 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 -1.2014 1.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 -0.4202 2.6515 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 0.9994 2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1765 1.7121 2.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2216 3.0893 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 3.8427 2.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 5.2618 2.5918 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1239 5.9332 2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 5.9327 2.9911 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0131 3.1451 3.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 1.7491 3.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -0.9537 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -1.0974 2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.5706 -0.0719 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -0.4470 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -0.7140 0.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -0.0224 -1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 1.4755 -1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 1.9775 -2.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 2.0675 -2.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.5268 -3.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 2.9217 -4.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 2.8422 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 2.3813 -3.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 -0.7758 -1.4894 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -0.7304 -0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 0.0136 0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -1.5793 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -3.0357 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 -3.5497 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 -2.2551 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 -1.3928 0.2018 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 -0.5106 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 0.0724 -1.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 -0.1365 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 -0.5634 2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2809 -0.2042 3.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2387 0.6280 2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 1.0889 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 0.7293 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -4.4692 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6378 -3.6380 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 -1.7444 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6074 -3.2232 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8025 0.0382 -1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9462 -1.6092 -2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0967 -2.6395 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -1.5830 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8361 -0.9708 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 0.2819 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8538 -2.3006 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 -0.9793 3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 1.1266 1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 3.6444 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 3.7148 3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 1.2381 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.3558 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 -0.2340 -2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 2.0344 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 1.6550 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 1.7878 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 2.5731 -3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 3.2806 -5.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 3.1684 -5.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 2.3232 -3.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -1.4561 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3563 -1.2035 -1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2874 -3.5609 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -3.2688 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9092 -4.2521 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -4.0193 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -1.8744 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -2.5658 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4741 -1.2086 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3283 -0.5862 4.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1047 0.9415 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.7644 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 1.0928 -0.5329 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 2 0 8 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 24 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 18 10 1 0 31 26 1 0 39 35 1 0 47 42 1 0 1 48 1 0 1 49 1 0 3 50 1 0 3 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 11 60 1 0 12 61 1 0 17 62 1 0 18 63 1 0 21 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 30 71 1 0 31 72 1 0 32 73 1 0 35 74 1 0 36 75 1 0 36 76 1 0 37 77 1 0 37 78 1 0 38 79 1 0 38 80 1 0 43 81 1 0 44 82 1 0 45 83 1 0 46 84 1 0 47 85 1 0 M CHG 2 14 1 16 -1 M END