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

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-4-(methylthio)butyric acid Formula: C14H18FNO3S2 MolecularWeight: 331.426023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO3S2/c1-20-8-6-12(14(18)19)16-13(17)7-9-21-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3,(H,16,17)(H,18,19)