3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid Openeye Name: 3-methyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O3S/c1-8(2)11(12(16)17)14-10(15)7-18-9-3-5-13-6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)