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

Systemtic Name: (2S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-methyl-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-methyl-2-piperidin-1-ium-1-ylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propanoyl)amino]-4-(methylthio)butyrate Formula: C14H26N2O3S MolecularWeight: 302.43284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCSC)C(=O)[O-])[NH+]1CCCCC1

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCSC)C(=O)[O-])[NH+]1CCCCC1

InChI

InChI=1S/C14H26N2O3S/c1-14(2,16-8-5-4-6-9-16)13(19)15-11(12(17)18)7-10-20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1