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

Systemtic Name: 3-[[7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-1-thiophen-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[7-methyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-1-(thiophene-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-1-(2-thenoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C29H24N4O6S2 MolecularWeight: 588.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H24N4O6S2/c1-17-9-10-21-22(13-17)33(16-23(34)24-7-3-11-40-24)26(35)20(15-32(21)27(36)25-8-4-12-41-25)31-29(39)30-19-6-2-5-18(14-19)28(37)38/h2-14,20H,15-16H2,1H3,(H,37,38)(H2,30,31,39)