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

Systemtic Name: 3-cyclohexyl-3-[(4-methylphenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(p-tolylmethyl)amino]propanoic acid CAS Name: 3-cyclohexyl-3-[(4-methylphenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[(4-methylphenyl)methyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[(4-methylbenzyl)-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C25H34NO5P MolecularWeight: 459.514921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CP(=O)(O)O)C(CC(=O)O)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CP(=O)(O)O)C(CC(=O)O)C3CCCCC3

InChI

InChI=1S/C25H34NO5P/c1-19-7-9-20(10-8-19)16-26(24(15-25(27)28)23-5-3-2-4-6-23)17-21-11-13-22(14-12-21)18-32(29,30)31/h7-14,23-24H,2-6,15-18H2,1H3,(H,27,28)(H2,29,30,31)