Chemical Compound

1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium

1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium 结构式
Primary record

1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177555576
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCN)OP(=O)(O)O)O)O)O)C(=O)N
Canonical SMILES
NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(N)=O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O

名称与同义词

  • N6-(2-Aminoethyl)NADP
  • J585.403B
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
  • 1-[5-O-[[N-(2-Aminoethyl)-2 -O-phosphono-5 -adenylyloxy]oxylatophosphinyl]-beta-D-ribofuranosyl]-3-carbamoylpyridinium