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

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

Systemtic Name:2-[[3-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid
Openeye Name:2-[[3-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid
CAS Name:2-[[[3-methyl-2-[(1-methyl-2-benzimidazolyl)methyl]-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid
IUPAC Name:2-[[3-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid
Traditional Name:2-[[3-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid
Formula: C21H22N5O6P
MolecularWeight: 471.403041
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O


Isomeric SMILES

CN1C2=CC=CC=C2N=C1CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O


InChI

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


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