2-[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazol-4-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazol-4-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-4-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carbonyl]amino]-3-phosphono-propionic acid Formula: C21H22N5O6P MolecularWeight: 471.403041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)C3=NC4=CC=CC(=C4N3C)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)C3=NC4=CC=CC(=C4N3C)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H22N5O6P/c1-11(18-22-13-7-3-4-8-14(13)23-18)19-24-15-9-5-6-12(17(15)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-9,11,16H,10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)