N-[(2S,3S)-4,5,8,9-tetrakis(methylsulfanyl)-1,3-bis(oxidanyl)octadecan-2-yl]octadecanamide

Systemtic Name: N-[(2S,3S)-4,5,8,9-tetrakis(methylsulfanyl)-1,3-bis(oxidanyl)octadecan-2-yl]octadecanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3,4,7,8-tetrakis(methylsulfanyl)heptadecyl]octadecanamide CAS Name: N-[(2S,3S)-1,3-dihydroxy-4,5,8,9-tetrakis(methylthio)octadecan-2-yl]octadecanamide IUPAC Name: N-[(2S,3S)-1,3-dihydroxy-4,5,8,9-tetrakis(methylsulfanyl)octadecan-2-yl]octadecanamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-3,4,7,8-tetrakis(methylthio)heptadecyl]stearamide Formula: C40H81NO3S4 MolecularWeight: 752.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(C(CCC(C(CCCCCCCCC)SC)SC)SC)SC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C(C(CCC(C(CCCCCCCCC)SC)SC)SC)SC)O

InChI

InChI=1S/C40H81NO3S4/c1-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-38(43)41-34(33-42)39(44)40(48-6)37(47-5)32-31-36(46-4)35(45-3)29-27-25-23-14-12-10-8-2/h34-37,39-40,42,44H,7-33H2,1-6H3,(H,41,43)/t34-,35?,36?,37?,39-,40?/m0/s1