9811834 -OEChem-06042009383D 59 60 0 1 0 0 0 0 0999 V2000 -3.9241 -0.8658 1.5087 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 -3.0977 1.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 0.7036 0.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 5.6591 0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 4.8592 -1.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -0.1526 -1.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -1.5372 -1.0579 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7451 -2.4216 -1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -2.0355 -0.5397 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3062 -2.0314 -1.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -1.5443 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -2.9748 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 -2.0937 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 0.8564 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -2.3010 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -0.3379 -1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 2.2052 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -0.6447 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -1.8512 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.1118 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 3.3324 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 -0.1779 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6744 -0.7776 2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 -0.5393 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 0.6339 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 4.6677 -0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9505 0.6373 3.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 -0.0891 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9633 1.0841 1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1554 0.7226 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2715 -1.6223 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9856 -2.3740 -2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -3.4664 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -1.0174 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 -3.1294 -1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 -1.7338 -2.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 0.0806 -2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0486 -2.7042 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -2.9233 -1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9149 -4.0149 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -3.2412 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 0.2606 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4009 2.4104 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 2.1368 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -2.4529 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 1.0546 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 3.1267 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 3.4081 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6288 -1.0356 3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -1.4753 3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9059 -1.1712 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 0.9252 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 1.3506 2.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 0.9170 3.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 0.7394 4.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0565 -0.3704 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 1.7162 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1047 1.0732 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 6.5292 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 26 1 0 0 0 0 4 59 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 20 2 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > DB09292 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PYNXFZCZUAOOQC-UTKZUKDTSA-N/SDF?record_type=3d > CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O > InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1 > PYNXFZCZUAOOQC-UTKZUKDTSA-N > C24H29NO5 > 411.498 > 411.204573038 > 4 > 59 > 0.027231207847571277 > 44.482937257180666 > 1 > 2 > 0 > 1 > 3-{[(2S,4R)-1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl}propanoic acid > 3.90 > 3.787722777666666 > -5.64 > 0 > -1 > 2 > -1 > 15.763375845183944 > 4.17512475630217 > -1.5518480702566233 > 92.69999999999999 > 114.06110000000002 > 12 > 1 > 9.42e-04 g/l > sacubitril > 0 $$$$