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

Systemtic Name: 2-[[2-[1-(6-aminocarbonyl-1H-benzimidazol-2-yl)propyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)propyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)propyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)propyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)propyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C23H25N6O7P MolecularWeight: 528.454361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C=C(C=C2)C(=O)N)C3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CCC(C1=NC2=C(N1)C=C(C=C2)C(=O)N)C3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C23H25N6O7P/c1-3-13(20-25-14-6-4-11(19(24)30)8-16(14)26-20)21-27-15-7-5-12(9-18(15)29(21)2)22(31)28-17(23(32)33)10-37(34,35)36/h4-9,13,17H,3,10H2,1-2H3,(H2,24,30)(H,25,26)(H,28,31)(H,32,33)(H2,34,35,36)