Chem
J-GLOBAL ID:200907004962518813
Nikkaji number:J2.489.636F
5-O-[α,α-Bis(4-methoxyphenyl)benzyl]-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-1-[2(1H)-oxo-4-(1H-1,2,4-triazole-1-yl)-5-methylpyrimidine-1-yl]-2-O,4-C-(phenoxyacetyliminomethylene)-1-deoxy-β-D-ribofuranose
5-O-[α,α-ビス(4-メトキシフェニル)ベンジル]-3-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-1-[2(1H)-オキソ-4-(1H-1,2,4-トリアゾール-1-イル)-5-メチルピリミジン-1-イル]-2-O,4-C-(フェノキシアセチルイミノメチレン)-1-デオキシ-β-D-リボフラノース
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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:
C51 H57 N8 O10 P
Molecular formula furigana:
C51-H57-N8-O10-P
Molecular weight:
973.037
InChI:
InChI=1S/C51H57N8O10P/c1-35(2)59(36(3)4)70(66-28-14-27-52)69-46-45-48(56-29-37(5)47(55-49(56)61)57-34-53-33-54-57)67-50(46,31-58(68-45)44(60)30-64-43-17-12-9-13-18-43)32-65-51(38-15-10-8-11-16-38,39-19-23-41(62-6)24-20-39)40-21-25-42(63-7)26-22-40/h8-13,15-26,29,33-36,45-46,48H,14,28,30-32H2,1-7H3/t45-,46+,48-,50-,70?/m1/s1
InChI key:
SCKIZTFEHKCXGO-MMFLETRCSA-N
SMILES:
COc1ccc(cc1)C(OC[C@@]12CN(O[C@@H]([C@@H](O1)n1cc(C)c(nc1=O)n1cncn1)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)C(=O)COc1ccccc1)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
5-O-[α,α-ビス(4-メトキシフェニル)ベンジル]-3-O-[2-シアノエトキシ(ジイソプロピルアミノ)ホスフィノ]-1-[2(1H)-オキソ-4-(1H-1,2,4-トリアゾール-1-イル)-5-メチルピリミジン-1-イル]-2-O,4-C-(フェノキシアセチルイミノメチレン)-1-デオキシ-β-D-リボフラノース
3-[({[(1R,5R,7R,8S)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-7-[5-メチル-2-オキソ-4-(1H-1,2,4-トリアゾール-1-イル)-1,2-ジヒドロピリミジン-1-イル]-3-(2-フェノキシアセチル)-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-8-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,5R,7R,8S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-[5-methyl-2-oxo-4-(1H-1,2,4-triazol-1-yl)-1,2-dihydropyrimidin-1-yl]-3-(2-phenoxyacetyl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]propanenitrile
Other name (1):
5-O-[α,α-Bis(4-methoxyphenyl)benzyl]-3-O-[2-cyanoethoxy(diisopropylamino)phosphino]-1-[2(1H)-oxo-4-(1H-1,2,4-triazole-1-yl)-5-methylpyrimidine-1-yl]-2-O,4-C-(phenoxyacetyliminomethylene)-1-deoxy-β-D-ribofuranose
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