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

Systemtic Name: 2-methyl-5-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 2-methyl-5-[[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 2-methyl-5-[[[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-5-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 5-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid Formula: C33H30N4O6S MolecularWeight: 610.6795

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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(=C(C=C4)C)C(=O)O)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC(=C(C=C4)C)C(=O)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H30N4O6S/c1-19-10-13-26-27(15-19)37(18-28(38)23-8-5-4-7-20(23)2)30(39)25(17-36(26)31(40)29-9-6-14-44-29)35-33(43)34-22-12-11-21(3)24(16-22)32(41)42/h4-16,25H,17-18H2,1-3H3,(H,41,42)(H2,34,35,43)