62956 -OEChem-07041813463D 64 66 0 1 0 0 0 0 0999 V2000 -1.1373 1.7264 0.3510 P 0 0 2 0 0 0 0 0 0 0 0 0 5.0964 3.7310 -0.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 2.9362 0.5202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 2.3217 -1.8958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 2.5520 -1.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 2.5719 1.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8341 1.1083 0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5733 -0.4577 -0.1589 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1027 -1.8215 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 0.7012 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 -0.3189 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -1.8518 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 -2.9397 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 1.8081 0.4665 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1874 -3.2230 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -4.3091 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -4.3327 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 1.7278 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 2.6178 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 0.8202 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4378 0.5311 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 1.1296 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9289 0.0700 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3431 0.6470 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4371 -0.3645 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9308 -0.5497 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9309 -1.0928 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9425 -1.4854 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9426 -2.0286 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4483 -2.2248 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 -0.2756 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8019 -2.0000 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 0.4232 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 0.9994 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -0.6522 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 -0.8568 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9784 -1.5947 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 -1.1099 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -2.9656 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -2.7503 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 2.4694 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2775 -3.2264 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 -3.4185 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -4.5674 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 -5.0730 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9464 -5.3060 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -4.2174 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 0.3092 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 0.0703 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 0.0166 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 -0.2291 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3099 4.2744 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9377 1.6236 1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9591 1.9087 -0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 3.2241 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 -0.4108 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 -0.7186 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4684 1.4788 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 1.0920 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5418 0.0196 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5421 -0.9485 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -1.6388 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3361 -2.6049 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2357 -2.9536 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 52 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 55 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > DB14207 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WOIWWYDXDVSWAZ-RTWAWAEBSA-N/SDF?record_type=3d > [H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCC1=CC=CC=C1)C(O)=O)C1CCCCC1 > InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1 > WOIWWYDXDVSWAZ-RTWAWAEBSA-N > C23H34NO5P > 435.4935 > 435.217459715 > 5 > 64 > 47.35106311159476 > 1 > 2 > 0 > 1 > (2S,4S)-4-cyclohexyl-1-{2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl}pyrrolidine-2-carboxylic acid > 3.70 > 3.339500987 > -4.99 > 1 > 3 > -2 > 4.184118717298075 > 1.755504495875595 > -4.720076424633399 > 94.91000000000001 > 116.02960000000002 > 9 > 1 > 4.47e-03 g/l > fosinoprilic acid > 0 $$$$