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

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isobutyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isobutyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C23H26N5O6P MolecularWeight: 499.456201

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)