2-[2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]ethanoyloxy]ethyl-trimethyl-azanium bromide

Systemtic Name: 2-[2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]ethanoyloxy]ethyl-trimethyl-azanium bromide Openeye Name: 2-[2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium bromide CAS Name: 2-[2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]oxyethyl-trimethylazanium bromide Traditional Name: 2-[2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium bromide Formula: C12H26BrN3O3S MolecularWeight: 372.32214

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)CNC(=O)C(CCSC)N.[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)CNC(=O)[C@H](CCSC)N.[Br-]

InChI

InChI=1S/C12H25N3O3S.BrH/c1-15(2,3)6-7-18-11(16)9-14-12(17)10(13)5-8-19-4;/h10H,5-9,13H2,1-4H3;1H/t10-;/m0./s1