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

Systemtic Name: (2S)-2-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-methyl-1-oxo-2-(1-pyrrolidin-1-iumyl)propyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-methyl-2-pyrrolidin-1-ium-1-ylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propanoyl)amino]-4-(methylthio)butyrate Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCSC)C(=O)[O-])[NH+]1CCCC1

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCSC)C(=O)[O-])[NH+]1CCCC1

InChI

InChI=1S/C13H24N2O3S/c1-13(2,15-7-4-5-8-15)12(18)14-10(11(16)17)6-9-19-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1