2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[3-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]benzoyl]amino]glutaric acid Formula: C30H27N7O7 MolecularWeight: 597.57808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC(CCC(=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)NC3=CC=CC(=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C30H27N7O7/c1-37-23-13-17(6-8-20(23)35-25(37)14-24-33-19-7-5-15(27(31)40)12-22(19)34-24)28(41)32-18-4-2-3-16(11-18)29(42)36-21(30(43)44)9-10-26(38)39/h2-8,11-13,21H,9-10,14H2,1H3,(H2,31,40)(H,32,41)(H,33,34)(H,36,42)(H,38,39)(H,43,44)