4-methylsulfanyl-2-(2-pyridin-2-ylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-pyridin-2-ylethanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-pyridyl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(2-pyridinyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(2-pyridyl)acetyl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC1=CC=CC=N1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CC1=CC=CC=N1

InChI

InChI=1S/C12H16N2O3S/c1-18-7-5-10(12(16)17)14-11(15)8-9-4-2-3-6-13-9/h2-4,6,10H,5,7-8H2,1H3,(H,14,15)(H,16,17)