(2S)-2-[[2-methyl-2-(4-oxidanylidenepiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4S/c1-14(2,16-7-4-10(17)5-8-16)13(20)15-11(12(18)19)6-9-21-3/h11H,4-9H2,1-3H3,(H,15,20)(H,18,19)/t11-/m0/s1