(2S)-2-azaniumyl-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoate

Systemtic Name: (2S)-2-azaniumyl-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoate Openeye Name: (2S)-2-azaniumyl-3-methyl-3-[2-(4-pyridyl)ethylsulfanyl]butanoate CAS Name: (2S)-2-ammonio-3-methyl-3-(2-pyridin-4-ylethylthio)butanoate IUPAC Name: (2S)-2-azaniumyl-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoate Traditional Name: (2S)-2-ammonio-3-methyl-3-[2-(4-pyridyl)ethylthio]butyrate Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[O-])[NH3+])SCCC1=CC=NC=C1

Isomeric SMILES

CC(C)([C@H](C(=O)[O-])[NH3+])SCCC1=CC=NC=C1

InChI

InChI=1S/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)/t10-/m0/s1