Chem
J-GLOBAL ID:200907010237995347   Nikkaji number:J2.235.892H

(S)-4-[9-(2-O,3-O,5-O-Triacetyl-β-D-ribofuranosyl)-9H-purine-6-yl]-α-(benzyloxycarbonylamino)hydrocinnamic acid benzyl ester

(S)-4-[9-(2-O,3-O,5-O-トリアセチル-β-D-リボフラノシル)-9H-プリン-6-イル]-α-(ベンジルオキシカルボニルアミノ)ヒドロけい皮酸ベンジル
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: C40H39N5O11
Molecular formula furigana: C40-H39-N5-O11
Molecular weight: 765.776
InChI: InChI=1S/C40H39N5O11/c1-24(46)51-21-32-35(54-25(2)47)36(55-26(3)48)38(56-32)45-23-43-34-33(41-22-42-37(34)45)30-16-14-27(15-17-30)18-31(39(49)52-19-28-10-6-4-7-11-28)44-40(50)53-20-29-12-8-5-9-13-29/h4-17,22-23,31-32,35-36,38H,18-21H2,1-3H3,(H,44,50)/t31-,32+,35+,36+,38+/m0/s1
InChI key: GXZBUTRFPBUQPY-ROOIDILKSA-N
SMILES: CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1OC(=O)C)n1cnc2c(ncnc12)c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1
Systematic name  (3):
  • (S)-4-[9-(2-O,3-O,5-O-トリアセチル-β-D-リボフラノシル)-9H-プリン-6-イル]-α-(ベンジルオキシカルボニルアミノ)ヒドロけい皮酸ベンジル
  • ベンジル (2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-(4-{9-[(2R,3R,4R,5R)-3,4-ビス(アセチルオキシ)-5-[(アセチルオキシ)メチル]オキソラン-2-イル]-9H-プリン-6-イル}フェニル)プロパノアート
  • benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-{9-[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]oxolan-2-yl]-9H-purin-6-yl}phenyl)propanoate
Other name (1):
  • (S)-4-[9-(2-O,3-O,5-O-Triacetyl-β-D-ribofuranosyl)-9H-purine-6-yl]-α-(benzyloxycarbonylamino)hydrocinnamic acid benzyl ester
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