2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]sulfamoyl]benzoic acid Openeye Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxo-butanoyl]sulfamoyl]benzoic acid CAS Name: 2-[[3-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxobutanoyl]sulfamoyl]benzoic acid Traditional Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-keto-butanoyl]sulfamoyl]benzoic acid Formula: C29H25N7O9S MolecularWeight: 647.6153

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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)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C29H25N7O9S/c1-36-21-11-15(7-9-18(21)33-24(36)13-23-31-17-8-6-14(26(30)38)10-19(17)32-23)27(39)34-20(29(42)43)12-25(37)35-46(44,45)22-5-3-2-4-16(22)28(40)41/h2-11,20H,12-13H2,1H3,(H2,30,38)(H,31,32)(H,34,39)(H,35,37)(H,40,41)(H,42,43)