[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-(1-methylsulfonyl-4-oxidanyl-piperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[4-(1-methylsulfonyl-4-oxidanyl-piperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-[4-(4-hydroxy-1-methylsulfonyl-4-piperidyl)-1-piperidyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(4-hydroxy-1-methylsulfonyl-4-piperidinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(4-hydroxy-1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-[4-(4-hydroxy-1-mesyl-4-piperidyl)piperidino]-2-keto-ethyl] ester Formula: C35H45Br2N5O8S MolecularWeight: 855.6335

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)(C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)(C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)O

InChI

InChI=1S/C35H45Br2N5O8S/c1-51(48,49)41-18-11-35(47,12-19-41)25-7-13-39(14-8-25)32(44)30(22-23-20-27(36)31(43)28(37)21-23)50-34(46)40-15-9-26(10-16-40)42-17-6-24-4-2-3-5-29(24)38-33(42)45/h2-5,20-21,25-26,30,43,47H,6-19,22H2,1H3,(H,38,45)/t30-/m1/s1