(2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-(methylthio)butyrate Formula: C13H15BrNO3S- MolecularWeight: 345.2321

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO3S/c1-19-7-6-11(13(17)18)15-12(16)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1