(2S)-4-methylsulfanyl-2-[4-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[4-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-4-(4-oxo-1-piperidin-1-iumyl)butyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(4-ketopiperidin-1-ium-1-yl)butanoylamino]-4-(methylthio)butyrate Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCC[NH+]1CCC(=O)CC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCC[NH+]1CCC(=O)CC1

InChI

InChI=1S/C14H24N2O4S/c1-21-10-6-12(14(19)20)15-13(18)3-2-7-16-8-4-11(17)5-9-16/h12H,2-10H2,1H3,(H,15,18)(H,19,20)/t12-/m0/s1