Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbonylsulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 124122-91-4
返回搜索 申请报价
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbonylsulfanyl}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-{2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbonylsulfanyl}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
4,065 克
纯度
99.5 %
CAS
124122-91-4

化合物标识与属性

CAS
124122-91-4
PubChem CID
3081714
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)C4(CO4)CCCCCCOC5=CC=C(C=C5)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)C1(CCCCCCOc2ccc(Cl)cc2)CO1

名称与同义词

  • Etomoxir-coa
  • Etomoxiryl-coa
  • Etomoxiryl-coenzyme A
  • Coenzyme A, etomoxiryl-
  • AC1MIXEX
  • RefChem:921337
  • C36H53ClN7O19P3S
  • DTXSID101347971
  • SCHEMBL30646868
  • SCHEMBL30646875
  • DTXCID301776716
  • CID3081714
  • C36-H53-Cl-N7-O19-P3-S
  • Etomoxiryl-CoA; (Acyl-CoA); [M+H]+;
  • J426.154B
  • 124122-91-4
  • Coenzyme A, S-(2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate)
  • 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] 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbothioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbonylsulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • Adenosine 5 -[diphosphoric acid P2-[(R)-4-[[2-[[2-[[[2-[6-(4-chlorophenoxy)hexyl]oxirane-2-yl]carbonyl]thio]ethyl]carbamoyl]ethyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]]3 -phosphoric acid