hexadecyl 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: hexadecyl 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: hexadecyl 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid cetyl ester Formula: C21H43NO2S MolecularWeight: 373.63662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCSC)N

InChI

InChI=1S/C21H43NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-21(23)20(22)17-19-25-2/h20H,3-19,22H2,1-2H3