[(2S,3R,4S,6R)-4-dimethylamino-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]oxan-3-yl] [(1S,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methyl pentanedioate
Molecular Formula:
C56H92N8O16
InChI: InChI=1/C56H92N8O16/c1-29-23-54(7,71)48(31(3)44(79-42-24-55(8,73-13)47(69)34(6)76-42)32(4)51(70)77-39(26-65)56(9,72)46(68)33(5)63(12)25-29)80-52-45(38(62(10)11)21-30(2)75-52)78-41(67)16-14-15-40(66)74-27-35-17-20-37(22-35)64-28-58-43-49(59-36-18-19-36)60-53(57)61-50(43)64/h17,20,28-39,42,44-48,52,65,68-69,71-72H,14-16,18-19,21-27H2,1-13H3,(H3,57,59,60,61)/t29-,30-,31+,32-,33-,34+,35+,37-,38+,39-,42+,44+,45-,46-,47+,48-,52+,54-,55-,56-/m1/s1/f/h59H,57H2
InChIKey: InChIKey=XINLVHRSILMGLO-DAQDHUFCDE
SMILES: CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(N(CC(CC2(C)O)C)C)C)O)(C)O)CO)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC(=O)CCCC(=O)OCC4CC(C=C4)N5C=NC6=C5N=C(N=C6NC7CC7)N)N(C)C
Names:
[(2S,3R,4S,6R)-4-dimethylamino-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12R,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]oxan-3-yl] [(1S,4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methyl pentanedioate
Registries:
PubChem CID 10290649
PubChem ID 15296582
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