methyl (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methylsulfanyl]butylsulfanyl]-4-acetyloxy-2-oxidanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-methoxy-oxan-3-yl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methylsulfanyl]butylsulfanyl]-4-acetyloxy-2-oxidanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-4-acetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methylsulfanyl]butylsulfanyl]-4-acetoxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-methoxy-3-oxanyl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methylthio]butylthio]-4-acetyloxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-methoxyoxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methylsulfanyl]butylsulfanyl]-4-acetyloxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,3R,4R,5S,6R)-5-acetamido-3-[4-[[(2S,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-4-acetoxy-2-(acetoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methylthio]butylthio]-4-acetoxy-2-hydroxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C49H72N2O28S2 MolecularWeight: 1201.22258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O)SCCCCSCC2C(C(C(C(O2)OC3C(OC(C(C3OC(=O)C)NC(=O)C)OC)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@H]([C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O)SCCCCSC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)NC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C49H72N2O28S2/c1-21(52)50-35-41(38(70-26(6)57)32(69-25(5)56)18-67-23(3)54)79-49(64,48(63)66-13)45(42(35)73-29(9)60)81-17-15-14-16-80-20-34-39(71-27(7)58)43(74-30(10)61)44(75-31(11)62)47(77-34)78-37-33(19-68-24(4)55)76-46(65-12)36(51-22(2)53)40(37)72-28(8)59/h32-47,64H,14-20H2,1-13H3,(H,50,52)(H,51,53)/t32-,33-,34-,35+,36-,37+,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,49+/m1/s1