3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(2-pyridylmethyl)amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(2-pyridinylmethyl)amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)benzyl]-(2-pyridylmethyl)amino]propionic acid Formula: C23H31N2O5P MolecularWeight: 446.476401

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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)CC3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=CC=N3

InChI

InChI=1S/C23H31N2O5P/c26-23(27)14-22(20-6-2-1-3-7-20)25(16-21-8-4-5-13-24-21)15-18-9-11-19(12-10-18)17-31(28,29)30/h4-5,8-13,20,22H,1-3,6-7,14-17H2,(H,26,27)(H2,28,29,30)