[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-[4-[(3S)-3-oxidanylpyrrolidin-1-yl]piperidin-1-yl]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-oxidanylidene-1-[4-[(3S)-3-oxidanylpyrrolidin-1-yl]piperidin-1-yl]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-[(3S)-3-hydroxypyrrolidin-1-yl]-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-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3-bromo-4-hydroxyphenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-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-[(3S)-3-hydroxypyrrolidino]piperidino]-2-keto-ethyl] ester Formula: C33H42BrN5O6 MolecularWeight: 684.62048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(C2)O)C(=O)C(CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

C1CN(C[C@H]1O)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C33H42BrN5O6/c34-27-19-22(5-6-29(27)41)20-30(31(42)36-13-8-24(9-14-36)38-17-12-26(40)21-38)45-33(44)37-15-10-25(11-16-37)39-18-7-23-3-1-2-4-28(23)35-32(39)43/h1-6,19,24-26,30,40-41H,7-18,20-21H2,(H,35,43)/t26-,30+/m0/s1