2-azanyl-3-[[4-fluoranyl-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[[4-fluoranyl-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[[4-fluoro-3-(trifluoromethyl)phenyl]-phenyl-methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[[4-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[[4-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[[4-fluoro-3-(trifluoromethyl)phenyl]-phenyl-methyl]thio]propionic acid Formula: C17H15F4NO2S MolecularWeight: 373.365113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)C(F)(F)F)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)C(F)(F)F)SCC(C(=O)O)N

InChI

InChI=1S/C17H15F4NO2S/c18-13-7-6-11(8-12(13)17(19,20)21)15(10-4-2-1-3-5-10)25-9-14(22)16(23)24/h1-8,14-15H,9,22H2,(H,23,24)