Chemical Compound

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

CAS Registry Number 135027-64-4
返回搜索 申请报价
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 结构式
Primary record

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

库存
9,026 克
纯度
98.8 %
CAS
135027-64-4

化合物标识与属性

CAS
135027-64-4
PubChem CID
3081818
SMILES
C[C@@H](C1=CC=C(C=C1)C(C)(C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O
Canonical SMILES
C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)c1ccc(C(C)(C)C)cc1

名称与同义词

  • Ibuprofenyl-coa
  • Ibuprofenyl-coenzyme A
  • Coenzyme A, ibuprofenyl-
  • (S)-ibuprofenoyl CoA
  • AC1MIXMC
  • 2-(4-Isobutylphenyl)propionyl-coa
  • RefChem:923257
  • DTXSID701347967
  • C34H52N7O17P3S
  • DTXCID501776712
  • 135027-64-4
  • CID3081818
  • C34-H52-N7-O17-P3-S
  • Ibuprofenyl-CoA; (Acyl-CoA); [M+H]+;
  • 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
  • Coenzyme A, S-(alpha-methyl-4-(2-methylpropyl)benzenacetate), (S)-