Chem
J-GLOBAL ID:200907018960794997   Nikkaji number:J2.243.661I

N-(tert-Butoxycarbonyl)-L-valine 6-methoxy-9-[2-O,3-O,5-O-tris(tert-butyldimethylsilyl)-β-D-ribofuranosyl]-9H-purine-2-yl ester

N-(tert-ブトキシカルボニル)-L-バリン6-メトキシ-9-[2-O,3-O,5-O-トリス(tert-ブチルジメチルシリル)-β-D-リボフラノシル]-9H-プリン-2-イル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C39H73N5O9Si3
Molecular formula furigana: C39-H73-N5-O9-SI3
Molecular weight: 840.294
InChI: InChI=1S/C39H73N5O9Si3/c1-24(2)26(41-35(46)51-36(3,4)5)33(45)50-34-42-30-27(31(43-34)47-15)40-23-44(30)32-29(53-56(20,21)39(12,13)14)28(52-55(18,19)38(9,10)11)25(49-32)22-48-54(16,17)37(6,7)8/h23-26,28-29,32H,22H2,1-21H3,(H,41,46)/t25-,26+,28-,29-,32-/m1/s1
InChI key: JMARGJCAFVYNHS-MWOCAMFQSA-N
SMILES: COc1nc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc2n(cnc12)[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
Systematic name  (3):
  • N-(tert-ブトキシカルボニル)-L-バリン6-メトキシ-9-[2-O,3-O,5-O-トリス(tert-ブチルジメチルシリル)-β-D-リボフラノシル]-9H-プリン-2-イル
  • 9-[(2R,3R,4R,5R)-3,4-ビス[(tert-ブチルジメチルシリル)オキシ]-5-{[(tert-ブチルジメチルシリル)オキシ]メチル}オキソラン-2-イル]-6-メトキシ-9H-プリン-2-イル (2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-メチルブタノアート
  • 9-[(2R,3R,4R,5R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-6-methoxy-9H-purin-2-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate
Other name (1):
  • N-(tert-Butoxycarbonyl)-L-valine 6-methoxy-9-[2-O,3-O,5-O-tris(tert-butyldimethylsilyl)-β-D-ribofuranosyl]-9H-purine-2-yl ester
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