tert-butyl (2R)-3-oxidanylidene-4-[(1R)-2-oxidanyl-1-phenyl-ethyl]-2-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl (2R)-3-oxidanylidene-4-[(1R)-2-oxidanyl-1-phenyl-ethyl]-2-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Openeye Name: tert-butyl (2R)-2-benzyl-4-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate CAS Name: (2R)-4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-benzyl-4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Traditional Name: (2R)-2-benzyl-4-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-keto-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)N(CC2=CC=CC=C21)C(CO)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C(=O)N(CC2=CC=CC=C21)[C@@H](CO)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-29(2,3)35-28(34)31-24-17-11-10-16-23(24)19-30(26(20-32)22-14-8-5-9-15-22)27(33)25(31)18-21-12-6-4-7-13-21/h4-17,25-26,32H,18-20H2,1-3H3/t25-,26+/m1/s1