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

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(2,2-dimethylpropyl)benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(2,2-dimethylpropyl)benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-(2,2-dimethylpropyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(2,2-dimethylpropyl)benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-neopentyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C24H28N5O6P MolecularWeight: 513.482781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N5O6P/c1-24(2,3)13-29-19-10-14(22(30)28-18(23(31)32)12-36(33,34)35)8-9-17(19)27-21(29)11-20-25-15-6-4-5-7-16(15)26-20/h4-10,18H,11-13H2,1-3H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)