methyl (2S,3S,4R,5S,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-(2-trimethylsilylethoxy)oxan-2-yl]-1-oxidanyl-3-phenylmethoxy-propan-2-yl]oxy-4-acetyloxy-5-(diethanoylamino)-3-(2-methoxyphenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5S,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-(2-trimethylsilylethoxy)oxan-2-yl]-1-oxidanyl-3-phenylmethoxy-propan-2-yl]oxy-4-acetyloxy-5-(diethanoylamino)-3-(2-methoxyphenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,3S,4R,5S,6R)-2-[(1R,2S)-2-[(2R,3R,4S,6R)-3-acetamido-4-acetoxy-6-methoxycarbonyl-6-(2-trimethylsilylethoxy)tetrahydropyran-2-yl]-1-(benzyloxymethyl)-2-hydroxy-ethoxy]-4-acetoxy-5-(diacetylamino)-3-(2-methoxyphenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4R,5S,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-(2-trimethylsilylethoxy)-2-oxanyl]-1-hydroxy-3-phenylmethoxypropan-2-yl]oxy-4-acetyloxy-5-(diacetylamino)-3-[(2-methoxyphenyl)thio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5S,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6R)-3-acetamido-4-acetyloxy-6-methoxycarbonyl-6-(2-trimethylsilylethoxy)oxan-2-yl]-1-hydroxy-3-phenylmethoxypropan-2-yl]oxy-4-acetyloxy-5-(diacetylamino)-3-(2-methoxyphenyl)sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,3S,4R,5S,6R)-2-[(1R,2S)-2-[(2R,3R,4S,6R)-3-acetamido-4-acetoxy-6-carbomethoxy-6-(2-trimethylsilylethoxy)tetrahydropyran-2-yl]-1-(benzoxymethyl)-2-hydroxy-ethoxy]-4-acetoxy-5-(diacetylamino)-3-[(2-methoxyphenyl)thio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C55H76N2O24SSi MolecularWeight: 1209.34144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COCC2=CC=CC=C2)OC3(C(C(C(C(O3)C(C(COC(=O)C)OC(=O)C)OC(=O)C)N(C(=O)C)C(=O)C)OC(=O)C)SC4=CC=CC=C4OC)C(=O)OC)O)(C(=O)OC)OCC[Si](C)(C)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COCC2=CC=CC=C2)O[C@]3([C@H]([C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)N(C(=O)C)C(=O)C)OC(=O)C)SC4=CC=CC=C4OC)C(=O)OC)O)(C(=O)OC)OCC[Si](C)(C)C)OC(=O)C

InChI

InChI=1S/C55H76N2O24SSi/c1-30(58)56-44-40(75-34(5)62)26-54(52(67)70-10,74-24-25-83(12,13)14)80-48(44)46(66)41(28-72-27-38-20-16-15-17-21-38)79-55(53(68)71-11)51(82-43-23-19-18-22-39(43)69-9)50(78-37(8)65)45(57(31(2)59)32(3)60)49(81-55)47(77-36(7)64)42(76-35(6)63)29-73-33(4)61/h15-23,40-42,44-51,66H,24-29H2,1-14H3,(H,56,58)/t40-,41+,42+,44+,45-,46+,47+,48+,49+,50+,51-,54+,55-/m0/s1