2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methylbenzimidazole-5-carbonyl]amino]-4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-4-[(2-carbomethoxyphenyl)sulfonylamino]-4-keto-butyric acid Formula: C29H26N6O8S MolecularWeight: 618.61714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)C(=O)O)N=C1CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)C(=O)O)N=C1CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H26N6O8S/c1-35-22-13-16(11-12-20(22)32-25(35)15-24-30-18-8-4-5-9-19(18)31-24)27(37)33-21(28(38)39)14-26(36)34-44(41,42)23-10-6-3-7-17(23)29(40)43-2/h3-13,21H,14-15H2,1-2H3,(H,30,31)(H,33,37)(H,34,36)(H,38,39)