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

Systemtic Name: 3-[[1-(3-bromophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[(3-bromophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-(3-bromobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H25BrN4O5 MolecularWeight: 613.458

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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)C4=CC(=CC=C4)Br)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)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H25BrN4O5/c32-23-10-4-8-21(14-23)31(41)36-26-12-11-20(30(40)35-24(16-29(38)39)22-9-5-13-33-18-22)15-25(26)34-28(37)17-27(36)19-6-2-1-3-7-19/h1-15,18,24,27H,16-17H2,(H,34,37)(H,35,40)(H,38,39)