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

Systemtic Name: 3-(aminocarbonylamino)-2-methyl-4-[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]benzoic acid Openeye Name: 2-methyl-4-[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-ureido-benzoic acid CAS Name: 3-(carbamoylamino)-2-methyl-4-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]benzoic acid IUPAC Name: 3-(carbamoylamino)-2-methyl-4-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]benzoic acid Traditional Name: 4-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-methyl-3-ureido-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)C4=C(C(=C(C=C4)C(=O)O)C)NC(=O)N)C(=O)C5=CC=CS5

Isomeric SMILES

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

InChI

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