2-[[2-azaniumyl-3-[(Z)-C-(4-methylsulfanylbutyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-azaniumyl-3-[(Z)-C-(4-methylsulfanylbutyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-ammonio-3-[[(1Z)-1-hydroxyimino-5-(methylthio)pentyl]thio]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-ammonio-3-[5-(methylthio)pentanehydroximoylthio]propanoyl]amino]acetate Formula: C11H21N3O4S2 MolecularWeight: 323.43214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCC(=NO)SCC(C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

CSCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C11H21N3O4S2/c1-19-5-3-2-4-9(14-18)20-7-8(12)11(17)13-6-10(15)16/h8,18H,2-7,12H2,1H3,(H,13,17)(H,15,16)/b14-9-