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

Systemtic Name: tert-butyl 2-(hexadecanoylamino)-3-hexadecanoylsulfanyl-propanoate Openeye Name: tert-butyl 2-(hexadecanoylamino)-3-hexadecanoylsulfanyl-propanoate CAS Name: 2-(1-oxohexadecylamino)-3-(1-oxohexadecylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hexadecanoylamino)-3-hexadecanoylsulfanylpropanoate Traditional Name: 3-(hexadecanoylthio)-2-palmitamido-propionic acid tert-butyl ester Formula: C39H75NO4S MolecularWeight: 654.0821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSC(=O)CCCCCCCCCCCCCCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSC(=O)CCCCCCCCCCCCCCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H75NO4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(41)40-35(38(43)44-39(3,4)5)34-45-37(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1-5H3,(H,40,41)