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

Systemtic Name: 3-cyclohexyl-3-[(3-methylphenyl)carbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[(3-methylbenzoyl)-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[(3-methylphenyl)-oxomethyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[(3-methylbenzoyl)-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[m-toluoyl-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C25H32NO6P MolecularWeight: 473.498441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO6P/c1-18-6-5-9-22(14-18)25(29)26(23(15-24(27)28)21-7-3-2-4-8-21)16-19-10-12-20(13-11-19)17-33(30,31)32/h5-6,9-14,21,23H,2-4,7-8,15-17H2,1H3,(H,27,28)(H2,30,31,32)