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

Systemtic Name: 4-[2-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-2-(carboxymethyloxy)benzoic acid Openeye Name: 4-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxo-propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 4-[2-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxy-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 4-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-hydroxy-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 4-[2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-hydroxy-3-keto-propyl]-2-(carboxymethyloxy)benzoic acid Formula: C30H26N6O9 MolecularWeight: 614.56224

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H26N6O9/c1-36-22-11-16(4-7-19(22)34-25(36)12-24-32-18-6-3-15(27(31)39)10-20(18)33-24)28(40)35-21(30(43)44)8-14-2-5-17(29(41)42)23(9-14)45-13-26(37)38/h2-7,9-11,21H,8,12-13H2,1H3,(H2,31,39)(H,32,33)(H,35,40)(H,37,38)(H,41,42)(H,43,44)