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HIT218700541
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HIT218700541
  • HIT ID:HIT218700541
  • Cas No:
  • Common Name:amicoumacin a; formic acid
  • IUPAC:(2S,3S,4S)-4-amino-2,3-dihydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]hexanediamide; formic acid
    IUPAC:(2S,3S,4S)-4-amino-2,3-dihydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]hexanediamide; formic acid
  • InChI key:HYPMHQBZNMLVMQ-RFODUKRZSA-N
  • Molecular Formula:C21H31N3O9
  • Molecular Weight:469.491
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:OC=O.[H][C@]1(Cc2cccc(O)c2C(=O)O1)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O
    SMILES:OC=O.[H][C@]1(Cc2cccc(O)c2C(=O)O1)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O
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