3952261 -OEChem-11231911213D 18 18 0 1 0 0 0 0 0999 V2000 2.7341 0.4284 0.0613 S 0 0 1 0 0 0 0 0 0 0 0 0 -3.0869 -0.5103 -0.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 -0.2884 1.2119 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2283 0.1665 -1.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -0.2939 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 0.1499 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 1.0053 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8615 -1.3714 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 1.2272 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -1.1495 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 0.6362 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 1.8870 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 -2.3857 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 2.2431 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.9972 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8045 1.1541 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9657 0.2795 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 1.3059 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 1 3 -1 M END > DB03033 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YVZWQPOTHRMEQW-UHFFFAOYSA-M/SDF?record_type=3d > COC1=CC=C(C=C1)S([O-])=O > InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5H,1H3,(H,8,9)/p-1 > YVZWQPOTHRMEQW-UHFFFAOYSA-M > C7H7O3S > 171.19 > 171.012138839 > 3 > 18 > 16.18908192840458 > 1 > 0 > -1 > 0 > 4-methoxybenzene-1-sulfinate > 0.63 > 0.7786990486666667 > -1.03 > 0 > 1 > -1 > 1.6510238970679731 > -4.841832552885548 > 49.36 > 42.5456 > 2 > 1 > 1.79e+01 g/l > N-(3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl)-3-(1,3-dioxoisoindol-2-yl)-N-{2-[(5S)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}propanamide > 0 $$$$