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

Systemtic Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo(3-pyridinyl)methyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[nicotinoyl-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C23H29N2O6P MolecularWeight: 460.459921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H29N2O6P/c26-22(27)13-21(19-5-2-1-3-6-19)25(23(28)20-7-4-12-24-14-20)15-17-8-10-18(11-9-17)16-32(29,30)31/h4,7-12,14,19,21H,1-3,5-6,13,15-16H2,(H,26,27)(H2,29,30,31)