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

Systemtic Name: 3-[2-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 3-[2-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 3-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 3-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C28H24N6O6 MolecularWeight: 540.52676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CC3=CC=CC(=C3)C(=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(CC3=CC=CC(=C3)C(=O)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C28H24N6O6/c1-34-22-12-16(26(36)33-21(28(39)40)10-14-3-2-4-17(9-14)27(37)38)6-8-19(22)32-24(34)13-23-30-18-7-5-15(25(29)35)11-20(18)31-23/h2-9,11-12,21H,10,13H2,1H3,(H2,29,35)(H,30,31)(H,33,36)(H,37,38)(H,39,40)