4-[[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]methyl]cyclohexanecarboxylate Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)C(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1CCC(CC1)C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H24N2O3S/c1-19-7-6-11(14)12(16)15-8-9-2-4-10(5-3-9)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)/t9?,10?,11-/m0/s1