S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate

Names

[ CAS No. ]:
135027-64-4

[ Name ]:
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-(4-tert-butylphenyl)propanethioate

[Synonym ]:
Ibuprofenyl-coa
Coenzyme A,ibuprofenyl
Ibuprofenyl-coenzyme A
(S)-ibuprofenoyl CoA
2-(4-Isobutylphenyl)propionyl-coa

Chemical & Physical Properties

[ Density]:
1.66g/cm3

[ Molecular Formula ]:
C34H52N7O17P3S

[ Molecular Weight ]:
955.80000

[ Exact Mass ]:
955.23500

[ PSA ]:
425.34000

[ LogP ]:
4.02770

[ Index of Refraction ]:
1.672

Related Compounds

  • 3-ethoxy-4-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methylbutanamido}butanoic acid
  • 1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cycloheptanecarbonyl]-3-hydroxyazetidine-3-carboxylic acid
  • 2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,3-thiazol-4-yl]formamido}-3,3,3-trifluoropropanoic acid
  • 2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]formamido}-3,3,3-trifluoropropanoic acid
  • 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-3,3,3-trifluoropropanoic acid
  • 1-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methoxy-4-methylpentanamido]methyl}cyclopropane-1-carboxylic acid
  • 1-benzyl-3-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutaneamido}pyrrolidine-3-carboxylic acid
  • 1-benzyl-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanamido]pyrrolidine-3-carboxylic acid
  • 2-[N-(cyclopropylmethyl)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanamido]acetic acid
  • 1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3,3-trifluoropropanoyl]-3-methylpyrrolidine-3-carboxylic acid
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