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

Systemtic Name: 2-[[1-(3-bromophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[(3-bromophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(3-bromobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C29H28BrN3O5 MolecularWeight: 578.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C29H28BrN3O5/c1-17(2)13-23(29(37)38)32-27(35)19-11-12-24-22(15-19)31-26(34)16-25(18-7-4-3-5-8-18)33(24)28(36)20-9-6-10-21(30)14-20/h3-12,14-15,17,23,25H,13,16H2,1-2H3,(H,31,34)(H,32,35)(H,37,38)