Chem
J-GLOBAL ID：201107029943255896   Nikkaji number：J2.933.602D

UK-432097

N-(2,2-ジフェニルエチル)-5′-オキソ-2-[[2-[3-[1-(2-ピリジル)-4-ピペリジニル]ウレイド]エチル]カルバモイル]-5′-(エチルアミノ)-5′-デオキシアデノシン
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： C40H47N11O6
Molecular formula furigana： C40-H47-N11-O6
Molecular weight： 777.887
InChI： InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1
InChI key： ZOTHAEBAWXWVID-HXEFRTELSA-N
SMILES： CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1
Systematic name  (3)：
  • N-(2,2-ジフェニルエチル)-5′-オキソ-2-[[2-[3-[1-(2-ピリジル)-4-ピペリジニル]ウレイド]エチル]カルバモイル]-5′-(エチルアミノ)-5′-デオキシアデノシン
  • 6-[(2,2-ジフェニルエチル)アミノ]-9-[(2R,3R,4S,5S)-5-(エチルカルバモイル)-3,4-ジヒドロキシオキソラン-2-イル]-N-[2-({[1-(ピリジン-2-イル)ピペリジン-4-イル]カルバモイル}アミノ)エチル]-9H-プリン-2-カルボキサミド
  • 6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide
Other name (2)：
  • N-(2,2-Diphenylethyl)-5′-oxo-2-[[2-[3-[1-(2-pyridyl)-4-piperidinyl]ureido]ethyl]carbamoyl]-5′-(ethylamino)-5′-deoxyadenosine
  • UK-432097
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