2-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-phosphono-butanoic acid

Systemtic Name: 2-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-4-phosphono-butanoic acid Openeye Name: 2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-phosphono-butanoic acid CAS Name: 2-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-phosphonobutanoic acid IUPAC Name: 2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-4-phosphonobutanoic acid Traditional Name: 2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-4-phosphono-butyric acid Formula: C22H23N6O7P MolecularWeight: 514.427781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CCP(=O)(O)O)C(=O)O)N=C1CC3=NC4=C(N3)C=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CCP(=O)(O)O)C(=O)O)N=C1CC3=NC4=C(N3)C=C(C=C4)C(=O)N

InChI

InChI=1S/C22H23N6O7P/c1-28-17-9-12(21(30)27-15(22(31)32)6-7-36(33,34)35)3-5-14(17)26-19(28)10-18-24-13-4-2-11(20(23)29)8-16(13)25-18/h2-5,8-9,15H,6-7,10H2,1H3,(H2,23,29)(H,24,25)(H,27,30)(H,31,32)(H2,33,34,35)