(2R)-2-azaniumyl-3-[4-[(S)-methylsulfinyl]butylcarbamothioylsulfanyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[4-[(S)-methylsulfinyl]butylcarbamothioylsulfanyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[4-[(S)-methylsulfinyl]butylcarbamothioylsulfanyl]propanoate CAS Name: (2R)-2-ammonio-3-[[[4-[(S)-methylsulfinyl]butylamino]-sulfanylidenemethyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[4-[(S)-methylsulfinyl]butylcarbamothioylsulfanyl]propanoate Traditional Name: (2R)-2-ammonio-3-[4-[(S)-methylsulfinyl]butylthiocarbamoylthio]propionate Formula: C9H18N2O3S3 MolecularWeight: 298.44582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCCCNC(=S)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C[S@](=O)CCCCNC(=S)SC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H18N2O3S3/c1-17(14)5-3-2-4-11-9(15)16-6-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,13)/t7-,17-/m0/s1