Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(1,2-dichloro-3,3,3-trifluoroprop-1-en-1-yl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(1,2-dichloro-3,3,3-trifluoroprop-1-en-1-yl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid 结构式
Primary record

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(1,2-dichloro-3,3,3-trifluoroprop-1-en-1-yl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101939215
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCS/C(=C(/C(F)(F)F)\Cl)/Cl)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCS/C(Cl)=C(\Cl)C(F)(F)F

名称与同义词

  • J939.596B
  • 5,6-Dichloro-7,7,7-trifluoro-4-thia-5-heptenoyl CoA
  • S-[3-[(1,2-Dichloro-3,3,3-trifluoro-1-propenyl)thio]propanoyl]coenzyme A
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({3-[(1,2-dichloro-3,3,3-trifluoroprop-1-en-1-yl)sulfanyl]propanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[3-[(1,2-dichloro-3,3,3-trifluoro-1-propenyl)thio]propanoylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • Adenosine 5 -[diphosphoric acid beta-[(R)-3-[[2-[[2-[[3-[(1,2-dichloro-3,3,3-trifluoro-1-propenyl)thio]propionyl]thio]ethyl]carbamoyl]ethyl]carbamoyl]-2,2-dimethyl-3-hydroxypropyl]]3 -phosphoric acid