dihexadecyl (2S)-2-(4-sulfanylbutanoylamino)pentanedioate

Systemtic Name: dihexadecyl (2S)-2-(4-sulfanylbutanoylamino)pentanedioate Openeye Name: dihexadecyl (2S)-2-(4-sulfanylbutanoylamino)pentanedioate CAS Name: (2S)-2-[(4-mercapto-1-oxobutyl)amino]pentanedioic acid dihexadecyl ester IUPAC Name: dihexadecyl (2S)-2-(4-sulfanylbutanoylamino)pentanedioate Traditional Name: (2S)-2-(4-mercaptobutanoylamino)glutaric acid dicetyl ester Formula: C41H79NO5S MolecularWeight: 698.13466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCCS

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCCS

InChI

InChI=1S/C41H79NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-46-40(44)34-33-38(42-39(43)32-31-37-48)41(45)47-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,48H,3-37H2,1-2H3,(H,42,43)/t38-/m0/s1