[(2R)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-[4-[(3R)-3-oxidanylpiperidin-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-[(3R)-3-oxidanylpiperidin-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-[(3R)-3-hydroxy-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-[(3R)-3-hydroxy-1-piperidinyl]-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(3-bromo-4-hydroxyphenyl)-1-[4-[(3R)-3-hydroxypiperidin-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-[(3R)-3-hydroxypiperidino]piperidino]-2-keto-ethyl] ester Formula: C34H44BrN5O6 MolecularWeight: 698.64706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C=C3)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)O

InChI

InChI=1S/C34H44BrN5O6/c35-28-20-23(7-8-30(28)42)21-31(32(43)37-15-10-25(11-16-37)39-14-3-5-27(41)22-39)46-34(45)38-17-12-26(13-18-38)40-19-9-24-4-1-2-6-29(24)36-33(40)44/h1-2,4,6-8,20,25-27,31,41-42H,3,5,9-19,21-22H2,(H,36,44)/t27-,31-/m1/s1