Chem
J-GLOBAL ID:200907062791954814   Nikkaji number:J1.498.743F

3′-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5-[3-(4-oxo-4-[6-(9H-fluorene-9-ylmethoxycarbonyloxy)hexylamino]butyrylamino)-1-propynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine

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]-5-[3-(4-オキソ-4-[6-(9H-フルオレン-9-イルメトキシカルボニルオキシ)ヘキシルアミノ]ブチリルアミノ)-1-プロピニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
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: C67H77N6O13P
Molecular formula furigana: C67-H77-N6-O13-P
Molecular weight: 1205.356
InChI: InChI=1S/C67H77N6O13P/c1-46(2)73(47(3)4)87(84-41-19-37-68)86-59-42-63(85-60(59)45-83-67(49-21-10-9-11-22-49,50-27-31-52(79-5)32-28-50)51-29-33-53(80-6)34-30-51)72-43-48(64(76)71-65(72)77)20-18-39-70-62(75)36-35-61(74)69-38-16-7-8-17-40-81-66(78)82-44-58-56-25-14-12-23-54(56)55-24-13-15-26-57(55)58/h9-15,21-34,43,46-47,58-60,63H,7-8,16-17,19,35-36,38-42,44-45H2,1-6H3,(H,69,74)(H,70,75)(H,71,76,77)/t59-,60+,63+,87?/m0/s1
InChI key: MZSKYVZNCDXKCU-BGEVNKKQSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cc(C#CCNC(=O)CCC(=O)NCCCCCCOC(=O)OCC2c3ccccc3c3ccccc23)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 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]-5-[3-(4-オキソ-4-[6-(9H-フルオレン-9-イルメトキシカルボニルオキシ)ヘキシルアミノ]ブチリルアミノ)-1-プロピニル]-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシウリジン
  • N'-(3-{1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2-シアノエトキシ)ホスファニル}オキシ)オキソラン-2-イル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル}プロパ-2-イン-1-イル)-N-[6-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}オキシ)ヘキシル]ブタンジアミド
  • N'-(3-{1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}prop-2-yn-1-yl)-N-[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}oxy)hexyl]butanediamide
Other name (1):
  • 3′-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5-[3-(4-oxo-4-[6-(9H-fluorene-9-ylmethoxycarbonyloxy)hexylamino]butyrylamino)-1-propynyl]-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyuridine
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