Methyl N-[(2S,5Z,10S,13E)-9,10-dihydroxy-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyl-oxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
[CAS# 107453-55-4]

Identification

• Name: Methyl N-[(2S,5Z,10S,13E)-9,10-dihydroxy-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyl-oxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
• Synonyms: Methyl N-[(2S,5Z,10S,13E)-9,10-Dihydroxy-2-[(2R,3R,4S,5S,6R)-4-Hydroxy-5-[[(2S,4S,5S,6R)-4-Hydroxy-6-Methyl-5-Methylsulfanyl-Tetrahydropyran-2-Yl]Oxyamino]-3-[(2S,4S,5S)-5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-13-(2-Methylsulfanyldisulfanylethylidene)-11-Oxo-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamate; N-[(2S,5Z,10S,13E)-9,10-Dihydroxy-2-[[(2R,3R,4S,5S,6R)-4-Hydroxy-5-[[(2S,4S,5S,6R)-4-Hydroxy-6-Methyl-5-(Methylthio)-2-Tetrahydropyranyl]Oxyamino]-3-[[(2S,4S,5S)-5-(Isopropylamino)-4-Methoxy-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-13-[2-(Methylthio)Disulfanylethylidene]-11-Oxo-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamic Acid Methyl Ester; N-[(2S,5Z,10S,13E)-9,10-Dihydroxy-2-[(2R,3R,4S,5S,6R)-4-Hydroxy-5-[[(2S,4S,5S,6R)-4-Hydroxy-6-Methyl-5-(Methylthio)Tetrahydropyran-2-Yl]Oxyamino]-3-[(2S,4S,5S)-5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-11-Keto-13-[2-(Methylthio)Disulfanylethylidene]-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamic Acid Methyl Ester
• Molecular Formula: C₄₀H₅₇N₃O₁₄S₄
• Molecular Weight: 932.14
• CAS Registry Number: 107453-55-4
• SMILES: C1(/C5(O)[C@H](O)C(=O)C(=C1[C@@H](O[C@@H]3O[C@@H]([C@@H](NO[C@@H]2O[C@@H]([C@@H](SC)[C@@H](O)C2)C)[C@H](O)[C@H]3O[C@@H]4OC[C@H](NC(C)C)[C@@H](OC)C4)C)C#C\C=C/C#C5)NC(OC)=O)=C\CSSSC
• InChI: 1S/C40H57N3O14S4/c1-20(2)41-24-19-52-28(18-27(24)50-5)56-35-33(45)31(43-57-29-17-25(44)36(58-7)22(4)53-29)21(3)54-38(35)55-26-13-11-9-10-12-15-40(49)23(14-16-60-61-59-8)30(26)32(34(46)37(40)47)42-39(48)51-6/h9-10,14,20-22,24-29,31,33,35-38,41,43-45,47,49H,16-19H2,1-8H3,(H,42,48)/b10-9-,23-14+/t21-,22-,24+,25+,26+,27+,28+,29+,31-,33+,35-,36-,37-,38+,40?/m1/s1
• InChIKey: JRSLIWPVTGZREY-FILPDXJGSA-N