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  • 供应商货号
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  3. HIT218839883
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HIT218839883
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HIT218839883
  • HIT ID:HIT218839883
  • Cas No:
  • 常用名:sodium 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-[6-({2-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanamido]ethyl}amino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy(oxido)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
    常用名:sodium 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-[6-({2-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanamido]ethyl}amino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy(oxido)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
  • IUPAC:sodium 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-[6-({2-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanamido]ethyl}amino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
    IUPAC:sodium 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-[6-({2-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanamido]ethyl}amino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
  • InChI key:OXLLKQXDCRWFGW-QJPRZYHBSA-M
  • 分子式:C45H67N12NaO18P2S
  • 分子量:1181.09
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCNc3ncnc4n(cnc34)[C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[n+]4cccc(c4)C(N)=O)[C@@H](O)[C@H]3O)[C@@]1([H])NC(=O)N2
    SMILES:[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCNc3ncnc4n(cnc34)[C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[n+]4cccc(c4)C(N)=O)[C@@H](O)[C@H]3O)[C@@]1([H])NC(=O)N2
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