methyl 2-(octadecanoylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propanoate

Systemtic Name: methyl 2-(octadecanoylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propanoate Openeye Name: methyl 2-(octadecanoylamino)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-propanoate CAS Name: 2-(1-oxooctadecylamino)-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-(octadecanoylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoate Traditional Name: 2-stearamido-3-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propionic acid methyl ester Formula: C36H61NO12S MolecularWeight: 731.93404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

InChI

InChI=1S/C36H61NO12S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(42)37-29(35(43)44-6)24-50-36-34(48-28(5)41)33(47-27(4)40)32(46-26(3)39)30(49-36)23-45-25(2)38/h29-30,32-34,36H,7-24H2,1-6H3,(H,37,42)