3-[[1-ethanoyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-ethanoyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-acetyl-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-acetyl-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-acetyl-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-acetyl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C

InChI

InChI=1S/C29H28N4O6/c1-17-11-12-24-25(13-17)33(16-26(35)22-10-5-4-7-18(22)2)27(36)23(15-32(24)19(3)34)31-29(39)30-21-9-6-8-20(14-21)28(37)38/h4-14,23H,15-16H2,1-3H3,(H,37,38)(H2,30,31,39)