[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-[4-(hydroxymethyl)-4-oxidanyl-piperidin-1-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-bromanyl-4-oxidanyl-phenyl)-1-[4-[4-(hydroxymethyl)-4-oxidanyl-piperidin-1-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-bromo-4-hydroxy-phenyl)methyl]-2-[4-[4-hydroxy-4-(hydroxymethyl)-1-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-bromo-4-hydroxyphenyl)-1-[4-[4-hydroxy-4-(hydroxymethyl)-1-piperidinyl]-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3-bromo-4-hydroxyphenyl)-1-[4-[4-hydroxy-4-(hydroxymethyl)piperidin-1-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-bromo-4-hydroxy-benzyl)-2-[4-(4-hydroxy-4-methylol-piperidino)piperidino]-2-keto-ethyl] ester Formula: C35H46BrN5O7 MolecularWeight: 728.67304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)(CO)O)C(=O)C(CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)(CO)O)C(=O)[C@@H](CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C35H46BrN5O7/c36-28-21-24(5-6-30(28)43)22-31(32(44)39-14-8-26(9-15-39)38-19-12-35(47,23-42)13-20-38)48-34(46)40-16-10-27(11-17-40)41-18-7-25-3-1-2-4-29(25)37-33(41)45/h1-6,21,26-27,31,42-43,47H,7-20,22-23H2,(H,37,45)/t31-/m1/s1