3-[[4-oxidanylidene-1-(2-phenoxyethanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-oxidanylidene-1-(2-phenoxyethanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-oxo-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[4-oxo-1-(1-oxo-2-phenoxyethyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-oxo-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-keto-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H28N4O6 MolecularWeight: 564.58792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC1=O)C(=O)COC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC1=O)C(=O)COC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N4O6/c37-29-18-28(21-8-3-1-4-9-21)36(30(38)20-42-24-11-5-2-6-12-24)27-14-13-22(16-26(27)34-29)32(41)35-25(17-31(39)40)23-10-7-15-33-19-23/h1-16,19,25,28H,17-18,20H2,(H,34,37)(H,35,41)(H,39,40)