2-[[2-azaniumyl-3-[(Z)-C-(5-methylsulfanylpentyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-azaniumyl-3-[(Z)-C-(5-methylsulfanylpentyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-ammonio-3-[[(1Z)-1-hydroxyimino-6-(methylthio)hexyl]thio]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-ammonio-3-[6-(methylthio)hexanehydroximoylthio]propanoyl]amino]acetate Formula: C12H23N3O4S2 MolecularWeight: 337.45872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O4S2/c1-20-6-4-2-3-5-10(15-19)21-8-9(13)12(18)14-7-11(16)17/h9,19H,2-8,13H2,1H3,(H,14,18)(H,16,17)/b15-10-