Chem
J-GLOBAL ID：200907025577213286   Nikkaji number：J2.089.184J

N-Benzoyl-1-[2-O-(tert-butyldimethylsilyl)-3-O-(3-carboxypropanoyl)-5-O-(4,4′-dimethoxytrityl)-4-thio-β-D-ribo-pentofuranosyl]cytosine

N-ベンゾイル-1-[2-O-(tert-ブチルジメチルシリル)-3-O-(3-カルボキシプロパノイル)-5-O-(4,4′-ジメトキシトリチル)-4-チオ-β-D-ribo-ペントフラノシル]シトシン
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： C47H53N3O10SSi
Molecular formula furigana： C47-H53-N3-O10-S-SI
Molecular weight： 880.100
InChI： InChI=1S/C47H53N3O10SSi/c1-46(2,3)62(6,7)60-42-41(59-40(53)27-26-39(51)52)37(61-44(42)50-29-28-38(49-45(50)55)48-43(54)31-14-10-8-11-15-31)30-58-47(32-16-12-9-13-17-32,33-18-22-35(56-4)23-19-33)34-20-24-36(57-5)25-21-34/h8-25,28-29,37,41-42,44H,26-27,30H2,1-7H3,(H,51,52)(H,48,49,54,55)/t37-,41-,42-,44-/m1/s1
InChI key： ZQUWGHAVUJEHLG-VXEATMKZSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1S[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCC(=O)O)n1ccc(NC(=O)c2ccccc2)nc1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • N-ベンゾイル-1-[2-O-(tert-ブチルジメチルシリル)-3-O-(3-カルボキシプロパノイル)-5-O-(4,4′-ジメトキシトリチル)-4-チオ-β-D-ribo-ペントフラノシル]シトシン
  • 4-{[(2R,3S,4R,5R)-5-(4-ベンズアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-[(tert-ブチルジメチルシリル)オキシ]チオラン-3-イル]オキシ}-4-オキソブタン酸
  • 4-{[(2R,3S,4R,5R)-5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(tert-butyldimethylsilyl)oxy]thiolan-3-yl]oxy}-4-oxobutanoic acid
Other name (1)：
  • N-Benzoyl-1-[2-O-(tert-butyldimethylsilyl)-3-O-(3-carboxypropanoyl)-5-O-(4,4′-dimethoxytrityl)-4-thio-β-D-ribo-pentofuranosyl]cytosine
Thsaurus map：
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