Chem
J-GLOBAL ID:200907075924999454   Nikkaji number:J293.377B

5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-3′-guanylic acid 4-chlorophenyl ester

5′-O-[ビス(4-メトキシフェニル)フェニルメチル]-2′-デオキシ-N-(2-メチル-1-オキソプロピル)-3′-グアニル酸4-クロロフェニル
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: C41H41ClN5O10P
Molecular formula furigana: C41-H41-CL-N5-O10-P
Molecular weight: 830.230
InChI: InChI=1S/C41H41ClN5O10P/c1-25(2)38(48)45-40-44-37-36(39(49)46-40)43-24-47(37)35-22-33(57-58(50,51)56-32-20-14-29(42)15-21-32)34(55-35)23-54-41(26-8-6-5-7-9-26,27-10-16-30(52-3)17-11-27)28-12-18-31(53-4)19-13-28/h5-21,24-25,33-35H,22-23H2,1-4H3,(H,50,51)(H2,44,45,46,48,49)/t33-,34+,35+/m0/s1
InChI key: LNYGZUUUSSKXBR-BMPTZRATSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(O)Oc1ccc(Cl)cc1)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 5′-O-[ビス(4-メトキシフェニル)フェニルメチル]-2′-デオキシ-N-(2-メチル-1-オキソプロピル)-3′-グアニル酸4-クロロフェニル
  • {[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-[2-(2-メチルプロパンアミド)-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル]オキソラン-3-イル]オキシ}(4-クロロフェノキシ)ホスフィン酸
  • {[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-[2-(2-methylpropanamido)-6-oxo-6,9-dihydro-1H-purin-9-yl]oxolan-3-yl]oxy}(4-chlorophenoxy)phosphinic acid
Other name (1):
  • 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-3′-guanylic acid 4-chlorophenyl ester
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