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

Systemtic Name: (2S)-2-[(2-bromanyl-4-fluoranyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2-bromo-4-fluoro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2-bromo-4-fluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2-bromo-4-fluoro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13BrFNO3S MolecularWeight: 350.203923

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)F)Br

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C12H13BrFNO3S/c1-19-5-4-10(12(17)18)15-11(16)8-3-2-7(14)6-9(8)13/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1