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

Systemtic Name: 2-[[3-methyl-2-[(6-oxidanyl-1H-benzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C20H20N5O7P MolecularWeight: 473.375861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=C(N3)C=C(C=C4)O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1CC3=NC4=C(N3)C=C(C=C4)O

InChI

InChI=1S/C20H20N5O7P/c1-25-16-6-10(19(27)24-15(20(28)29)9-33(30,31)32)2-4-13(16)23-18(25)8-17-21-12-5-3-11(26)7-14(12)22-17/h2-7,15,26H,8-9H2,1H3,(H,21,22)(H,24,27)(H,28,29)(H2,30,31,32)