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

Systemtic Name: 2-[[1-(4-fluorophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-(4-fluorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[(4-fluorophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-(4-fluorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(4-fluorobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C29H28FN3O5 MolecularWeight: 517.548123

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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=C(C=C4)F

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=C(C=C4)F

InChI

InChI=1S/C29H28FN3O5/c1-17(2)14-23(29(37)38)32-27(35)20-10-13-24-22(15-20)31-26(34)16-25(18-6-4-3-5-7-18)33(24)28(36)19-8-11-21(30)12-9-19/h3-13,15,17,23,25H,14,16H2,1-2H3,(H,31,34)(H,32,35)(H,37,38)