methyl (2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H20FNO5S2 MolecularWeight: 377.451403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C15H20FNO5S2/c1-22-15(19)13(7-9-23-2)17-14(18)8-10-24(20,21)12-5-3-11(16)4-6-12/h3-6,13H,7-10H2,1-2H3,(H,17,18)/t13-/m0/s1