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

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propionic acid methyl ester Formula: C26H33NO13S MolecularWeight: 599.60412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H33NO13S/c1-14(28)35-12-20-21(37-15(2)29)22(38-16(3)30)23(39-17(4)31)25(40-20)41-13-19(24(32)34-5)27-26(33)36-11-18-9-7-6-8-10-18/h6-10,19-23,25H,11-13H2,1-5H3,(H,27,33)