(2S)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(3-fluoro-4-methyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(3-fluoro-4-methyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H16FNO3S MolecularWeight: 285.334443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)O)F

InChI

InChI=1S/C13H16FNO3S/c1-8-3-4-9(7-10(8)14)12(16)15-11(13(17)18)5-6-19-2/h3-4,7,11H,5-6H2,1-2H3,(H,15,16)(H,17,18)/t11-/m0/s1