(2S)-4-methylsulfanyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3S/c1-10(15-7-4-3-5-8-15)12(16)14-11(13(17)18)6-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)/t10-,11-/m0/s1