Chem
J-GLOBAL ID:200907012114978769   Nikkaji number:J1.384.741J

N-Acetyl-2′-O,3′-O-dibenzoyl-5′-O-[hydroxy[1-[4,4′,4′′-tris(benzoyloxy)trityl]-L-prolylamino]phosphinyl]-8-oxo-7,8-dihydroadenosine

N-アセチル-2′-O,3′-O-ジベンゾイル-5′-O-[ヒドロキシ[1-[4,4′,4′′-トリス(ベンゾイルオキシ)トリチル]-L-プロリルアミノ]ホスフィニル]-8-オキソ-7,8-ジヒドロアデノシン
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: C71H58N7O17P
Molecular formula furigana: C71-H58-N7-O17-P
Molecular weight: 1312.251
InChI: InChI=1S/C71H58N7O17P/c1-44(79)74-61-58-62(73-43-72-61)78(70(86)75-58)64-60(95-69(85)49-26-15-6-16-27-49)59(94-68(84)48-24-13-5-14-25-48)57(93-64)42-89-96(87,88)76-63(80)56-28-17-41-77(56)71(50-29-35-53(36-30-50)90-65(81)45-18-7-2-8-19-45,51-31-37-54(38-32-51)91-66(82)46-20-9-3-10-21-46)52-33-39-55(40-34-52)92-67(83)47-22-11-4-12-23-47/h2-16,18-27,29-40,43,56-57,59-60,64H,17,28,41-42H2,1H3,(H,75,86)(H,72,73,74,79)(H2,76,80,87,88)/t56-,57+,59+,60+,64+/m0/s1
InChI key: VPPSZCCWSAZFOF-TYPBYDIHSA-N
SMILES: CC(=O)Nc1ncnc2n([C@@H]3O[C@H](COP(=O)(O)NC(=O)[C@@H]4CCCN4C(c4ccc(OC(=O)c5ccccc5)cc4)(c4ccc(OC(=O)c5ccccc5)cc4)c4ccc(OC(=O)c5ccccc5)cc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c(=O)[nH]c12
Systematic name  (4):
  • N-アセチル-2′-O,3′-O-ジベンゾイル-5′-O-[ヒドロキシ[1-[4,4′,4′′-トリス(ベンゾイルオキシ)トリチル]-L-プロリルアミノ]ホスフィニル]-8-オキソ-7,8-ジヒドロアデノシン
  • 2′-O,3′-O-ジベンゾイル-5′-O-[[[[(2S)-1-[4,4′,4′′-トリス(ベンゾイルオキシ)トリチル]ピロリジン-2α-イル]カルボニル]アミノ]ホスホニル]-7,8-ジヒドロ-8-オキソ-N-アセチルアデノシン
  • {[(2R,3R,4R,5R)-3,4-ビス(ベンゾイルオキシ)-5-(6-アセトアミド-8-オキソ-8,9-ジヒドロ-7H-プリン-9-イル)オキソラン-2-イル]メトキシ}({[(2S)-1-{トリス[4-(ベンゾイルオキシ)フェニル]メチル}ピロリジン-2-イル]ホルムアミド})ホスフィン酸
  • {[(2R,3R,4R,5R)-3,4-bis(benzoyloxy)-5-(6-acetamido-8-oxo-8,9-dihydro-7H-purin-9-yl)oxolan-2-yl]methoxy}({[(2S)-1-{tris[4-(benzoyloxy)phenyl]methyl}pyrrolidin-2-yl]formamido})phosphinic acid
Other name (2):
  • N-Acetyl-2′-O,3′-O-dibenzoyl-5′-O-[hydroxy[1-[4,4′,4′′-tris(benzoyloxy)trityl]-L-prolylamino]phosphinyl]-8-oxo-7,8-dihydroadenosine
  • 2′-O,3′-O-Dibenzoyl-5′-O-[[[[(2S)-1-[4,4′,4′′-tris(benzoyloxy)trityl]pyrrolidine-2α-yl]carbonyl]amino]phosphonyl]-7,8-dihydro-8-oxo-N-acetyladenosine
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