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

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(3-methylbutyl)benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isopentyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-(3-methylbutyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(3-methylbutyl)benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-isoamyl-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)CCN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N5O6P/c1-14(2)9-10-29-20-11-15(23(30)28-19(24(31)32)13-36(33,34)35)7-8-18(20)27-22(29)12-21-25-16-5-3-4-6-17(16)26-21/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)