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HIT218701051
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HIT218701051
  • HIT ID:HIT218701051
  • Cas No:
  • Common Name:(4R,5S,6S)-3-{[(3S,5S)-5-[di(2H3)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    Common Name:(4R,5S,6S)-3-{[(3S,5S)-5-[di(2H3)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-[di(2H3)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    IUPAC:(4R,5S,6S)-3-{[(3S,5S)-5-[di(2H3)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • InChI key:DMJNNHOOLUXYBV-ZSJYILIPSA-N
  • Molecular Formula:C17H25N3O5S
  • Molecular Weight:389.5
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@H](C)[C@]12[H]
    SMILES:[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@H](C)[C@]12[H]
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