3-[2-[1-(6-aminocarbonyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxidanylidene-2-(phosphonomethyl)propanoic acid

Systemtic Name: 3-[2-[1-(6-aminocarbonyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxidanylidene-2-(phosphonomethyl)propanoic acid Openeye Name: 3-[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxo-2-(phosphonomethyl)propanoic acid CAS Name: 3-[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-5-benzimidazolyl]-3-oxo-2-(phosphonomethyl)propanoic acid IUPAC Name: 3-[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-oxo-2-(phosphonomethyl)propanoic acid Traditional Name: 3-[2-[1-(6-carbamoyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-keto-2-(phosphonomethyl)propionic acid Formula: C22H22N5O7P MolecularWeight: 499.413141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N5O7P/c1-10(20-24-14-5-3-12(19(23)29)8-15(14)25-20)21-26-16-7-11(4-6-17(16)27(21)2)18(28)13(22(30)31)9-35(32,33)34/h3-8,10,13H,9H2,1-2H3,(H2,23,29)(H,24,25)(H,30,31)(H2,32,33,34)