(2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(4-oxo-1-piperidin-1-iumyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[3-(4-oxopiperidin-1-ium-1-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-ketopiperidin-1-ium-1-yl)propanoylamino]-4-(methylthio)butyrate Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-20-9-5-11(13(18)19)14-12(17)4-8-15-6-2-10(16)3-7-15/h11H,2-9H2,1H3,(H,14,17)(H,18,19)/t11-/m0/s1