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

Systemtic Name: 3-[(4-cyanophenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[(4-cyanophenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[(4-cyanophenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[(4-cyanophenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(4-cyanobenzyl)-[4-(phosphonomethyl)benzyl]amino]-3-cyclohexyl-propionic acid Formula: C25H31N2O5P MolecularWeight: 470.497801

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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=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N2O5P/c26-15-19-6-8-20(9-7-19)16-27(24(14-25(28)29)23-4-2-1-3-5-23)17-21-10-12-22(13-11-21)18-33(30,31)32/h6-13,23-24H,1-5,14,16-18H2,(H,28,29)(H2,30,31,32)