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

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

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

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)OC

InChI

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