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

Systemtic Name: 3-(3-methylphenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-pyridin-4-ylcarbonyl-amino]propanoic acid Openeye Name: 3-(m-tolyl)-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-4-carbonyl)amino]propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo(pyridin-4-yl)methyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-4-carbonyl)amino]propanoic acid Traditional Name: 3-[isonicotinoyl-[4-(phosphonomethyl)benzyl]amino]-3-(m-tolyl)propionic acid Formula: C24H25N2O6P MolecularWeight: 468.438861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C24H25N2O6P/c1-17-3-2-4-21(13-17)22(14-23(27)28)26(24(29)20-9-11-25-12-10-20)15-18-5-7-19(8-6-18)16-33(30,31)32/h2-13,22H,14-16H2,1H3,(H,27,28)(H2,30,31,32)