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

Systemtic Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(2-thiophen-2-ylethanoyl)amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-[2-(2-thienyl)acetyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[(1-oxo-2-thiophen-2-ylethyl)-[[4-(phosphonomethyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(2-thiophen-2-ylacetyl)amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)benzyl]-[2-(2-thienyl)acetyl]amino]propionic acid Formula: C23H30NO6PS MolecularWeight: 479.526161

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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)CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO6PS/c25-22(13-20-7-4-12-32-20)24(21(14-23(26)27)19-5-2-1-3-6-19)15-17-8-10-18(11-9-17)16-31(28,29)30/h4,7-12,19,21H,1-3,5-6,13-16H2,(H,26,27)(H2,28,29,30)