methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S,3S,4S,5R)-4,5-diacetyloxy-2-[(1R)-1,2-diacetyloxyethyl]oxolan-3-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S,3S,4S,5R)-4,5-diacetyloxy-2-[(1R)-1,2-diacetyloxyethyl]oxolan-3-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2S,3S,4S,5R)-4,5-diacetoxy-2-[(1R)-1,2-diacetoxyethyl]tetrahydrofuran-3-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2S,3S,4S,5R)-4,5-diacetyloxy-2-[(1R)-1,2-diacetyloxyethyl]-3-oxolanyl]thio]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S,3S,4S,5R)-4,5-diacetyloxy-2-[(1R)-1,2-diacetyloxyethyl]oxolan-3-yl]sulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[[(2S,3S,4S,5R)-4,5-diacetoxy-2-[(1R)-1,2-diacetoxyethyl]tetrahydrofuran-3-yl]thio]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C34H47NO21S MolecularWeight: 837.79608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)SC2C(C(OC2C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)S[C@@H]2[C@H]([C@H](O[C@H]2[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H47NO21S/c1-14(36)35-26-23(49-17(4)39)11-34(33(45)46-10,56-29(26)27(52-20(7)42)24(50-18(5)40)12-47-15(2)37)57-31-28(25(51-19(6)41)13-48-16(3)38)55-32(54-22(9)44)30(31)53-21(8)43/h23-32H,11-13H2,1-10H3,(H,35,36)/t23-,24+,25+,26+,27+,28-,29+,30+,31-,32-,34-/m0/s1