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

Systemtic Name: 2-[[1-(3-bromophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(3-bromophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-(3-bromobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]propionic acid Formula: C26H22BrN3O5 MolecularWeight: 536.37398

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Descriptors Computed from Structure

Canonical SMILES:

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(=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/C26H22BrN3O5/c1-15(26(34)35)28-24(32)17-10-11-21-20(13-17)29-23(31)14-22(16-6-3-2-4-7-16)30(21)25(33)18-8-5-9-19(27)12-18/h2-13,15,22H,14H2,1H3,(H,28,32)(H,29,31)(H,34,35)