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

Systemtic Name: 2-[[2-[1H-benzimidazol-2-yl(fluoranyl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1H-benzimidazol-2-yl(fluoro)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1H-benzimidazol-2-yl(fluoro)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1H-benzimidazol-2-yl(fluoro)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1H-benzimidazol-2-yl(fluoro)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C20H19FN5O6P MolecularWeight: 475.366924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1C(C3=NC4=CC=CC=C4N3)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1C(C3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C20H19FN5O6P/c1-26-15-8-10(19(27)25-14(20(28)29)9-33(30,31)32)6-7-13(15)24-18(26)16(21)17-22-11-4-2-3-5-12(11)23-17/h2-8,14,16H,9H2,1H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)