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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N5O6P/c1-2-3-10-28-19-11-14(22(29)27-18(23(30)31)13-35(32,33)34)8-9-17(19)26-21(28)12-20-24-15-6-4-5-7-16(15)25-20/h4-9,11,18H,2-3,10,12-13H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)