hexadecyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate

Systemtic Name: hexadecyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Openeye Name: hexadecyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(propoxy)methyl]amino]butanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-4-methylsulfanyl-2-(propoxycarbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(propoxycarbonylamino)butyric acid cetyl ester Formula: C25H49NO4S MolecularWeight: 459.72586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](CCSC)NC(=O)OCCC

InChI

InChI=1S/C25H49NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)23(19-22-31-3)26-25(28)30-20-5-2/h23H,4-22H2,1-3H3,(H,26,28)/t23-/m0/s1