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

Systemtic Name: 2-[[2-[[1-methyl-6-[(1-oxidanyl-1-oxidanylidene-3-phosphono-propan-2-yl)carbamoyl]benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[[6-[[2-hydroxy-2-oxo-1-(phosphonomethyl)ethyl]carbamoyl]-1-methyl-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[[6-[[(1-hydroxy-1-oxo-3-phosphonopropan-2-yl)amino]-oxomethyl]-1-methyl-2-benzimidazolyl]methyl]-3H-benzimidazol-5-yl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[[6-[(1-hydroxy-1-oxo-3-phosphonopropan-2-yl)carbamoyl]-1-methylbenzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[[6-[[2-hydroxy-2-keto-1-(phosphonomethyl)ethyl]carbamoyl]-1-methyl-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C24H26N6O12P2 MolecularWeight: 652.443762

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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)C(=O)NC(CP(=O)(O)O)C(=O)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)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C24H26N6O12P2/c1-30-18-7-12(22(32)29-17(24(35)36)10-44(40,41)42)3-5-14(18)27-20(30)8-19-25-13-4-2-11(6-15(13)26-19)21(31)28-16(23(33)34)9-43(37,38)39/h2-7,16-17H,8-10H2,1H3,(H,25,26)(H,28,31)(H,29,32)(H,33,34)(H,35,36)(H2,37,38,39)(H2,40,41,42)