octadecyl 3-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]propanoate

Systemtic Name: octadecyl 3-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]propanoate Openeye Name: octadecyl 3-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]propanoate CAS Name: 3-[[3-(2-acetamidoethylthio)-1-oxobutyl]thio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[3-(2-acetamidoethylsulfanyl)butanoylsulfanyl]propanoate Traditional Name: 3-[3-(2-acetamidoethylthio)butanoylthio]propionic acid stearyl ester Formula: C29H55NO4S2 MolecularWeight: 545.8813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(C)SCCNC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(C)SCCNC(=O)C

InChI

InChI=1S/C29H55NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-28(32)20-23-36-29(33)25-26(2)35-24-21-30-27(3)31/h26H,4-25H2,1-3H3,(H,30,31)