dioctadecyl (2S)-2-(4-sulfanylbutanoylamino)butanedioate

Systemtic Name: dioctadecyl (2S)-2-(4-sulfanylbutanoylamino)butanedioate Openeye Name: dioctadecyl (2S)-2-(4-sulfanylbutanoylamino)butanedioate CAS Name: (2S)-2-[(4-mercapto-1-oxobutyl)amino]butanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl (2S)-2-(4-sulfanylbutanoylamino)butanedioate Traditional Name: (2S)-2-(4-mercaptobutanoylamino)succinic acid distearyl ester Formula: C44H85NO5S MolecularWeight: 740.2144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCCS

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCCS

InChI

InChI=1S/C44H85NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-43(47)40-41(45-42(46)36-35-39-51)44(48)50-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,51H,3-40H2,1-2H3,(H,45,46)/t41-/m0/s1