hexadecyl 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: hexadecyl 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: hexadecyl 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid cetyl ester Formula: C23H45NO3S MolecularWeight: 415.6733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)NC(=O)C

InChI

InChI=1S/C23H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-23(26)22(18-20-28-3)24-21(2)25/h22H,4-20H2,1-3H3,(H,24,25)