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

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-propan-2-yl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isopropyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-propan-2-yl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-propan-2-ylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isopropyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C22H24N5O6P MolecularWeight: 485.429621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)N1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H24N5O6P/c1-12(2)27-18-9-13(21(28)26-17(22(29)30)11-34(31,32)33)7-8-16(18)25-20(27)10-19-23-14-5-3-4-6-15(14)24-19/h3-9,12,17H,10-11H2,1-2H3,(H,23,24)(H,26,28)(H,29,30)(H2,31,32,33)