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

Systemtic Name: (2S)-2-[[2-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-methyl-2-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-methyl-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]-4-(methylthio)butyrate Formula: C15H28N2O3S MolecularWeight: 316.45942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)C(C)(C)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H28N2O3S/c1-11-5-8-17(9-6-11)15(2,3)14(20)16-12(13(18)19)7-10-21-4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)/t12-/m0/s1