2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2-phenyl-acetic acid CAS Name: 2-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2-phenylacetic acid Traditional Name: 2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2-phenyl-acetic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-29-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)26-22(23(29)30)28-25(33)27-21(24(31)32)17-12-6-3-7-13-17/h2-15,21-22H,1H3,(H,31,32)(H2,27,28,33)