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

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C20H20N5O6P MolecularWeight: 457.376461

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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=C1CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N5O6P/c1-25-16-8-11(19(26)24-15(20(27)28)10-32(29,30)31)6-7-14(16)23-18(25)9-17-21-12-4-2-3-5-13(12)22-17/h2-8,15H,9-10H2,1H3,(H,21,22)(H,24,26)(H,27,28)(H2,29,30,31)