(2S)-4-methylsulfanyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(pyrrolidin-1-ylsulfonylammonio)butanoate CAS Name: (2S)-4-(methylthio)-2-(1-pyrrolidinylsulfonylammonio)butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)butanoate Traditional Name: (2S)-4-(methylthio)-2-(pyrrolidinosulfonylammonio)butyrate Formula: C9H18N2O4S2 MolecularWeight: 282.38022

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCCC1

InChI

InChI=1S/C9H18N2O4S2/c1-16-7-4-8(9(12)13)10-17(14,15)11-5-2-3-6-11/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1