methyl 2-(dodecanoylamino)-3-sulfanyl-propanoate

Systemtic Name: methyl 2-(dodecanoylamino)-3-sulfanyl-propanoate Openeye Name: methyl 2-(dodecanoylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(1-oxododecylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(dodecanoylamino)-3-sulfanylpropanoate Traditional Name: 2-(lauroylamino)-3-mercapto-propionic acid methyl ester Formula: C16H31NO3S MolecularWeight: 317.48724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CS)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CS)C(=O)OC

InChI

InChI=1S/C16H31NO3S/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14(13-21)16(19)20-2/h14,21H,3-13H2,1-2H3,(H,17,18)