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

Systemtic Name: 3-cyclohexyl-3-[cyclopropylcarbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[cyclopropanecarbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[cyclopropyl(oxo)methyl]-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[cyclopropanecarbonyl-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[cyclopropanecarbonyl-[4-(phosphonomethyl)benzyl]amino]propionic acid Formula: C21H30NO6P MolecularWeight: 423.439761

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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)C3CC3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3CC3

InChI

InChI=1S/C21H30NO6P/c23-20(24)12-19(17-4-2-1-3-5-17)22(21(25)18-10-11-18)13-15-6-8-16(9-7-15)14-29(26,27)28/h6-9,17-19H,1-5,10-14H2,(H,23,24)(H2,26,27,28)