Chem
J-GLOBAL ID:200907050212904950   Nikkaji number:J1.881.098K

N-[5-[3-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-threo-pentofuranosyl]quinazoline-2-yl]isobutyramide

N-[5-[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-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-threo-ペントフラノシル]キナゾリン-2-イル]イソブチルアミド
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: C47H56N5O7P
Molecular formula furigana: C47-H56-N5-O7-P
Molecular weight: 833.967
InChI: InChI=1S/C47H56N5O7P/c1-31(2)45(53)51-46-49-29-40-39(16-12-17-41(40)50-46)42-28-43(59-60(57-27-13-26-48)52(32(3)4)33(5)6)44(58-42)30-56-47(34-14-10-9-11-15-34,35-18-22-37(54-7)23-19-35)36-20-24-38(55-8)25-21-36/h9-12,14-25,29,31-33,42-44H,13,27-28,30H2,1-8H3,(H,49,50,51,53)/t42-,43-,44-,60?/m1/s1
InChI key: QQNQICQOGVYQEO-XZGDLDCMSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@H]1OP(OCCC#N)N(C(C)C)C(C)C)c1cccc2nc(NC(=O)C(C)C)ncc12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • N-[5-[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-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-threo-ペントフラノシル]キナゾリン-2-イル]イソブチルアミド
  • N-{5-[(2R,4R,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]キナゾリン-2-イル}-2-メチルプロパンアミド
  • N-{5-[(2R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]quinazolin-2-yl}-2-methylpropanamide
Other name (1):
  • N-[5-[3-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-threo-pentofuranosyl]quinazoline-2-yl]isobutyramide
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