[2-(pyridin-2-yldisulfanyl)propanoylamino] hexanoate

Systemtic Name: [2-(pyridin-2-yldisulfanyl)propanoylamino] hexanoate Openeye Name: [2-(2-pyridyldisulfanyl)propanoylamino] hexanoate CAS Name: hexanoic acid [[1-oxo-2-(2-pyridinyldisulfanyl)propyl]amino] ester IUPAC Name: [2-(pyridin-2-yldisulfanyl)propanoylamino] hexanoate Traditional Name: hexanoic acid [2-(2-pyridyldisulfanyl)propanoylamino] ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)ONC(=O)C(C)SSC1=CC=CC=N1

Isomeric SMILES

CCCCCC(=O)ONC(=O)C(C)SSC1=CC=CC=N1

InChI

InChI=1S/C14H20N2O3S2/c1-3-4-5-9-13(17)19-16-14(18)11(2)20-21-12-8-6-7-10-15-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,16,18)