Chemical Compound

[(2r,3s,4r,5r)-5-[6-({2-[(6-aminohexyl)amino]-2-oxoethyl}amino)-9h-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate(non-preferred name)

CAS Registry Number 71974-85-1
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[(2r,3s,4r,5r)-5-[6-({2-[(6-aminohexyl)amino]-2-oxoethyl}amino)-9h-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate(non-preferred name) 结构式
Primary record

[(2r,3s,4r,5r)-5-[6-({2-[(6-aminohexyl)amino]-2-oxoethyl}amino)-9h-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate(non-preferred name)

库存
1,684 克
纯度
98.1 %
CAS
71974-85-1

化合物标识与属性

CAS
71974-85-1
PubChem CID
191993
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)NCC(=O)NCCCCCCN)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCC(=O)NCCCCCCN)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS

名称与同义词

  • AC1L4TJC
  • RefChem:160755
  • 6-METHYL-2-HEPTANONE
  • DTXSID30992666
  • Sid 769406
  • KST-1A8958
  • AR-1A8185
  • CID191993
  • N(6)-(N-(6-Aminohexyl)carbamoylmethyl)-coa
  • N(6)-(N-(6-Aminohexyl)carbamoylmethyl)-coenzyme A
  • 71974-85-1
  • Coenzyme A, N-(2-((6-aminohexyl)amino)-2-oxoethyl)-
  • [[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • 928-68-7
  • [(2r,3s,4r,5r)-5-[6-({2-[(6-aminohexyl)amino]-2-oxoethyl}amino)-9h-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate(non-preferred name)
  • N-{2-[(6-Aminohexyl)imino]-2-hydroxyethyl}-5'-O-[({[(3R)-3,4-dihydroxy-4-({3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • N-{2-[(6-Aminohexyl)imino]-2-hydroxyethyl}-9-{5-O-[({[3,4-dihydroxy-4-({3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine