3,3-dimethyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-13(2,3)11(12(17)18)15-10(16)8-19-9-4-6-14-7-5-9/h4-7,11H,8H2,1-3H3,(H,15,16)(H,17,18)