4-methylsulfanyl-2-(3-pyridin-3-ylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3-pyridin-3-ylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(3-pyridyl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(3-pyridinyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3-pyridin-3-ylpropanoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-[3-(3-pyridyl)propanoylamino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CN=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CN=CC=C1

InChI

InChI=1S/C13H18N2O3S/c1-19-8-6-11(13(17)18)15-12(16)5-4-10-3-2-7-14-9-10/h2-3,7,9,11H,4-6,8H2,1H3,(H,15,16)(H,17,18)