tert-butyl 2-(hexadecanoylamino)-3-sulfanyl-propanoate

Systemtic Name: tert-butyl 2-(hexadecanoylamino)-3-sulfanyl-propanoate Openeye Name: tert-butyl 2-(hexadecanoylamino)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-(1-oxohexadecylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hexadecanoylamino)-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-palmitamido-propionic acid tert-butyl ester Formula: C23H45NO3S MolecularWeight: 415.6733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25)24-20(19-28)22(26)27-23(2,3)4/h20,28H,5-19H2,1-4H3,(H,24,25)