3-[6-(2,2-dimethylpropanoylamino)pyridin-3-yl]-2-(ethanoylsulfanylmethyl)hexanoic acid

Systemtic Name: 3-[6-(2,2-dimethylpropanoylamino)pyridin-3-yl]-2-(ethanoylsulfanylmethyl)hexanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(2,2-dimethylpropanoylamino)-3-pyridyl]hexanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinyl]hexanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-(2,2-dimethylpropanoylamino)pyridin-3-yl]hexanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(pivaloylamino)-3-pyridyl]hexanoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=C(C=C1)NC(=O)C(C)(C)C)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CCCC(C1=CN=C(C=C1)NC(=O)C(C)(C)C)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C19H28N2O4S/c1-6-7-14(15(17(23)24)11-26-12(2)22)13-8-9-16(20-10-13)21-18(25)19(3,4)5/h8-10,14-15H,6-7,11H2,1-5H3,(H,23,24)(H,20,21,25)