3-[[1-(2,2-dimethylpropanoyl)-5-[2-[methyl(phenyl)amino]-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-[methyl(phenyl)amino]-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-(N-methylanilino)-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-(N-methylanilino)-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-(N-methylanilino)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(N-methylanilino)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H33N5O6 MolecularWeight: 571.62362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)N(C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)N(C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C31H33N5O6/c1-31(2,3)29(41)36-18-23(33-30(42)32-21-12-10-11-20(17-21)28(39)40)27(38)35(24-15-8-9-16-25(24)36)19-26(37)34(4)22-13-6-5-7-14-22/h5-17,23H,18-19H2,1-4H3,(H,39,40)(H2,32,33,42)