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

Systemtic Name: 2-(methylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-(methylamino)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-propanoic acid CAS Name: 2-(methylamino)-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propanoic acid IUPAC Name: 2-(methylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoic acid Traditional Name: 2-(methylamino)-3-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propionic acid Formula: C18H27NO11S MolecularWeight: 465.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCC(C(=O)O)NC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCC(C(=O)O)NC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H27NO11S/c1-8(20)26-6-13-14(27-9(2)21)15(28-10(3)22)16(29-11(4)23)18(30-13)31-7-12(19-5)17(24)25/h12-16,18-19H,6-7H2,1-5H3,(H,24,25)