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HIT218667158
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HIT218667158
  • HIT ID:HIT218667158
  • Cas No:
  • Common Name:sodium (2S,3S,4S,5R,6R)-6-(3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydroindol-1-yl}propoxy)-3,4,5-trihydroxyoxane-2-carboxylate
    Common Name:sodium (2S,3S,4S,5R,6R)-6-(3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydroindol-1-yl}propoxy)-3,4,5-trihydroxyoxane-2-carboxylate
  • IUPAC:sodium (2S,3S,4S,5R,6R)-6-(3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propoxy)-3,4,5-trihydroxyoxane-2-carboxylate
    IUPAC:sodium (2S,3S,4S,5R,6R)-6-(3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propoxy)-3,4,5-trihydroxyoxane-2-carboxylate
  • InChIKey:SSXDGVSHJRFUEJ-XNUWQVEGSA-M
  • Molecular Formula:C31H39F3N3NaO10
  • Molecular Weight:693.649
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:[Na+].C[C@H](Cc1cc2CCN(CCCO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
    SMILES:[Na+].C[C@H](Cc1cc2CCN(CCCO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
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