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

Systemtic Name: 3-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2,2-dimethylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-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-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H32N4O6 MolecularWeight: 556.60898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C(C)(C)C

InChI

InChI=1S/C31H32N4O6/c1-19-10-5-6-13-22(19)26(36)18-34-24-14-7-8-15-25(24)35(29(40)31(2,3)4)17-23(27(34)37)33-30(41)32-21-12-9-11-20(16-21)28(38)39/h5-16,23H,17-18H2,1-4H3,(H,38,39)(H2,32,33,41)