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

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(1-pyrrolidin-1-iumyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2S)-2-pyrrolidin-1-ium-1-ylpropanoyl]amino]butyrate Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O3S/c1-9(14-6-3-4-7-14)11(15)13-10(12(16)17)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t9-,10-/m0/s1