(2S)-2-azanyl-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Openeye Name: (2S)-2-amino-3-methyl-3-[2-(4-pyridyl)ethylsulfanyl]butanoic acid CAS Name: (2S)-2-amino-3-methyl-3-(2-pyridin-4-ylethylthio)butanoic acid IUPAC Name: (2S)-2-amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Traditional Name: (2S)-2-amino-3-methyl-3-[2-(4-pyridyl)ethylthio]butyric acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SCCC1=CC=NC=C1

Isomeric SMILES

CC(C)([C@H](C(=O)O)N)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