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

Systemtic Name: 2-azanyl-3-methyl-3-(2-pyridin-2-ylethylsulfanyl)butanoic acid Openeye Name: 2-amino-3-methyl-3-[2-(2-pyridyl)ethylsulfanyl]butanoic acid CAS Name: 2-amino-3-methyl-3-[2-(2-pyridinyl)ethylthio]butanoic acid IUPAC Name: 2-amino-3-methyl-3-(2-pyridin-2-ylethylsulfanyl)butanoic acid Traditional Name: 2-amino-3-methyl-3-[2-(2-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=CC=N1

Isomeric SMILES

CC(C)(C(C(=O)O)N)SCCC1=CC=CC=N1

InChI

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