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

Systemtic Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(thiophen-2-ylmethyl)amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(2-thienylmethyl)amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(thiophen-2-ylmethyl)amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(thiophen-2-ylmethyl)amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)benzyl]-(2-thenyl)amino]propionic acid Formula: C22H30NO5PS MolecularWeight: 451.516061

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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=CS3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=CS3

InChI

InChI=1S/C22H30NO5PS/c24-22(25)13-21(19-5-2-1-3-6-19)23(15-20-7-4-12-30-20)14-17-8-10-18(11-9-17)16-29(26,27)28/h4,7-12,19,21H,1-3,5-6,13-16H2,(H,24,25)(H2,26,27,28)