6540261 -OEChem-10311712453D 48 49 0 1 0 0 0 0 0999 V2000 2.6400 -2.0959 -0.1621 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 1.8038 1.1263 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0347 1.5076 1.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 3.2005 0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 1.8150 1.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 -2.3011 -1.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7714 -3.1815 0.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0537 0.8450 0.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 -0.7274 0.4469 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 0.5959 -0.2062 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4847 0.7604 -1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 2.1171 -1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8663 0.4945 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.5832 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -1.8253 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.9483 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 -0.7800 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 -1.4208 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 -0.5435 -1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0831 -0.3596 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 -1.0710 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 0.7569 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3421 -0.6660 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 1.1619 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7517 0.4505 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 1.9949 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 0.7194 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 -0.0016 -2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 -0.7599 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 2.0884 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 2.9197 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 2.3722 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9215 -0.4761 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 1.2711 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 0.4844 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -2.3086 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -0.7612 -2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 2.0315 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0489 4.0280 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -1.5966 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 -0.0758 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -1.9640 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 1.3593 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0597 -1.2278 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 2.0412 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4764 2.1642 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2463 1.8265 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8884 2.8917 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > DB07713 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BZVYQWLRCHLAGK-KRWDZBQOSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O > InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1 > BZVYQWLRCHLAGK-KRWDZBQOSA-N > C17H22NO6PS > 399.398 > 399.090544643 > 6 > 48 > 38.92296862529365 > 1 > 3 > 0 > 1 > [(1S)-1-{4'-methoxy-[1,1'-biphenyl]-4-sulfonamido}-2-methylpropyl]phosphonic acid > 1.43 > 2.4291565313333328 > -2.94 > 0 > 2 > -1 > 8.011197601306716 > 1.4801571641538018 > -4.8260993101224035 > 112.93 > 98.92279999999998 > 6 > 1 > 4.61e-01 g/l > (1S)-1-{4'-methoxy-[1,1'-biphenyl]-4-sulfonamido}-2-methylpropylphosphonic acid > 0 $$$$