3-[[1-(1-azanyl-3-methyl-1-oxidanylidene-2-phenyl-butan-2-yl)-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[1-(1-azanyl-3-methyl-1-oxidanylidene-2-phenyl-butan-2-yl)-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-(1-carbamoyl-2-methyl-1-phenyl-propyl)-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepin-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-(1-carbamoyl-2-methyl-1-phenyl-propyl)-2-keto-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid Formula: C34H32N4O5 MolecularWeight: 576.64168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)N)N2C(=O)CN(C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)N)N2C(=O)CN(C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C34H32N4O5/c1-22(2)34(32(35)42,25-15-7-4-8-16-25)38-28-19-10-9-18-27(28)30(23-12-5-3-6-13-23)37(21-29(38)39)33(43)36-26-17-11-14-24(20-26)31(40)41/h3-20,22,30H,21H2,1-2H3,(H2,35,42)(H,36,43)(H,40,41)