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HIT218698595
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HIT218698595
  • HIT ID:HIT218698595
  • Cas No:136466-51-8
  • Common Name:(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
    Common Name:(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
  • IUPAC:(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
    IUPAC:(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
  • InChIKey:FLNMCNFAJCMMHI-YGHIGYJTSA-N
  • Molecular Formula:C38H64N8O15
  • Molecular Weight:872.971
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
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