(2S)-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoate

Systemtic Name: (2S)-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoate Openeye Name: (2S)-2-[bis(2-oxido-2-oxo-ethyl)ammonio]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoate CAS Name: (2S)-2-[bis(2-oxido-2-oxoethyl)ammonio]-6-[[3-(methylsulfonylthio)-1-oxopropyl]amino]hexanoate IUPAC Name: (2S)-2-[bis(2-oxido-2-oxoethyl)azaniumyl]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoate Traditional Name: (2S)-2-[bis(2-keto-2-oxido-ethyl)ammonio]-6-[3-(mesylthio)propanoylamino]hexanoate Formula: C14H22N2O9S2-2 MolecularWeight: 426.46248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCC(=O)NCCCCC(C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)SCCC(=O)NCCCC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C14H24N2O9S2/c1-27(24,25)26-7-5-11(17)15-6-3-2-4-10(14(22)23)16(8-12(18)19)9-13(20)21/h10H,2-9H2,1H3,(H,15,17)(H,18,19)(H,20,21)(H,22,23)/p-2/t10-/m0/s1