[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-bromophenyl)methylthio]propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-bromobenzyl)thio]propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)[C@H](C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO3S/c1-8(12(15)16)18-13(17)9(2)19-7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,15,16)/t8-,9+/m1/s1