2-[[3-methyl-2-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[3-methyl-2-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C21H22N5O7P MolecularWeight: 487.402441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)O)C3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)O)C3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H22N5O7P/c1-10(18-22-13-6-4-12(27)8-15(13)23-18)19-24-14-5-3-11(7-17(14)26(19)2)20(28)25-16(21(29)30)9-34(31,32)33/h3-8,10,16,27H,9H2,1-2H3,(H,22,23)(H,25,28)(H,29,30)(H2,31,32,33)