Chem
J-GLOBAL ID:200907000828396803   Nikkaji number:J1.747.419G

(1R,3R,4R,7S)-7-[2-Cyanoethoxy(diisopropylamino)phosphinooxy]-1-(4,4′-dimethoxytrityloxymethyl)-5-methyl-3-(thymine-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

ジイソプロピルアミド亜りん酸(2-シアノエチル)[(1R,3R,4R,7S)-1-(4,4′-ジメトキシトリチルオキシメチル)-3-(チミン-1-イル)-5-メチル-2-オキサ-5-アザビシクロ[2.2.1]ヘプタン-7-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: C42H52N5O8P
Molecular formula furigana: C42-H52-N5-O8-P
Molecular weight: 785.879
InChI: InChI=1S/C42H52N5O8P/c1-28(2)47(29(3)4)56(53-24-12-23-43)55-37-36-39(46-25-30(5)38(48)44-40(46)49)54-41(37,26-45(36)6)27-52-42(31-13-10-9-11-14-31,32-15-19-34(50-7)20-16-32)33-17-21-35(51-8)22-18-33/h9-11,13-22,25,28-29,36-37,39H,12,24,26-27H2,1-8H3,(H,44,48,49)/t36-,37+,39-,41-,56?/m1/s1
InChI key: ZXDPMNLVSQXQPW-RWDMRMDHSA-N
SMILES: COc1ccc(cc1)C(OC[C@@]12CN(C)[C@@H]([C@@H](O1)n1cc(C)c(=O)[nH]c1=O)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (4):
  • ジイソプロピルアミド亜りん酸(2-シアノエチル)[(1R,3R,4R,7S)-1-(4,4′-ジメトキシトリチルオキシメチル)-3-(チミン-1-イル)-5-メチル-2-オキサ-5-アザビシクロ[2.2.1]ヘプタン-7-イル]
  • (1R,3R,4R,7S)-7-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノオキシ]-1-(4,4′-ジメトキシトリチルオキシメチル)-5-メチル-3-(チミン-1-イル)-2-オキサ-5-アザビシクロ[2.2.1]ヘプタン
  • 3-[({[(1R,3R,4R,7S)-1-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-メチル-3-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2-オキサ-5-アザビシクロ[2.2.1]ヘプタン-7-イル]オキシ}[ビス(プロパン-2-イル)アミノ]ホスファニル)オキシ]プロパンニトリル
  • 3-[({[(1R,3R,4R,7S)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-methyl-3-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-7-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (2):
  • Diisopropylamide phosphorous acid (2-cyanoethyl)[(1R,3R,4R,7S)-1-(4,4′-dimethoxytrityloxymethyl)-3-(thymine-1-yl)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane-7-yl] ester
  • (1R,3R,4R,7S)-7-[2-Cyanoethoxy(diisopropylamino)phosphinooxy]-1-(4,4′-dimethoxytrityloxymethyl)-5-methyl-3-(thymine-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
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