3-(4-fluorophenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-pyridin-4-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-pyridin-4-ylcarbonyl-amino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-4-carbonyl)amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[oxo(pyridin-4-yl)methyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-4-carbonyl)amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[isonicotinoyl-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C23H22FN2O6P MolecularWeight: 472.402744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C(CC(=O)O)C2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C(CC(=O)O)C2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3)CP(=O)(O)O

InChI

InChI=1S/C23H22FN2O6P/c24-20-7-5-18(6-8-20)21(13-22(27)28)26(23(29)19-9-11-25-12-10-19)14-16-1-3-17(4-2-16)15-33(30,31)32/h1-12,21H,13-15H2,(H,27,28)(H2,30,31,32)