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

Systemtic Name: 2-(octadecanoylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-(octadecanoylamino)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-propanoic acid CAS Name: 2-(1-oxooctadecylamino)-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propanoic acid IUPAC Name: 2-(octadecanoylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoic acid Traditional Name: 2-stearamido-3-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propionic acid Formula: C35H59NO12S MolecularWeight: 717.90746

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C35H59NO12S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(41)36-28(34(42)43)23-49-35-33(47-27(5)40)32(46-26(4)39)31(45-25(3)38)29(48-35)22-44-24(2)37/h28-29,31-33,35H,6-23H2,1-5H3,(H,36,41)(H,42,43)