3-[[1-cyclohexyl-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-cyclohexyl-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-cyclohexyl-5-[2-(N-methylanilino)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-cyclohexyl-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-cyclohexyl-5-[2-(N-methylanilino)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-cyclohexyl-4-keto-5-[2-keto-2-(N-methylanilino)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C32H35N5O5 MolecularWeight: 569.6508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C32H35N5O5/c1-35(24-13-4-2-5-14-24)29(38)21-37-28-18-9-8-17-27(28)36(25-15-6-3-7-16-25)20-26(30(37)39)34-32(42)33-23-12-10-11-22(19-23)31(40)41/h2,4-5,8-14,17-19,25-26H,3,6-7,15-16,20-21H2,1H3,(H,40,41)(H2,33,34,42)