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

Systemtic Name: 2-[[2-[1-(6-fluoranyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C21H21FN5O6P MolecularWeight: 489.393504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN5O6P/c1-10(18-23-13-6-4-12(22)8-15(13)24-18)19-25-14-5-3-11(7-17(14)27(19)2)20(28)26-16(21(29)30)9-34(31,32)33/h3-8,10,16H,9H2,1-2H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33)