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

Systemtic Name: [3-(pyridin-2-yldisulfanyl)propanoylamino] hexanoate Openeye Name: [3-(2-pyridyldisulfanyl)propanoylamino] hexanoate CAS Name: hexanoic acid [[1-oxo-3-(2-pyridinyldisulfanyl)propyl]amino] ester IUPAC Name: [3-(pyridin-2-yldisulfanyl)propanoylamino] hexanoate Traditional Name: hexanoic acid [3-(2-pyridyldisulfanyl)propanoylamino] ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)ONC(=O)CCSSC1=CC=CC=N1

Isomeric SMILES

CCCCCC(=O)ONC(=O)CCSSC1=CC=CC=N1

InChI

InChI=1S/C14H20N2O3S2/c1-2-3-4-8-14(18)19-16-12(17)9-11-20-21-13-7-5-6-10-15-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)