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

Systemtic Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-4-(methylthio)butanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(carbethoxyamino)-4-(methylthio)butyric acid cetyl ester Formula: C24H47NO4S MolecularWeight: 445.69928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-23(26)22(19-21-30-3)25-24(27)28-5-2/h22H,4-21H2,1-3H3,(H,25,27)/t22-/m0/s1