2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-3,3-dimethyl-butyric acid Formula: C15H20FNO3S MolecularWeight: 313.387603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C15H20FNO3S/c1-15(2,3)13(14(19)20)17-12(18)8-9-21-11-6-4-10(16)5-7-11/h4-7,13H,8-9H2,1-3H3,(H,17,18)(H,19,20)