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HIT218639247
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HIT218639247
  • HIT ID:HIT218639247
  • Cas No:191338-87-1
  • Common Name:(4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid
    Common Name:(4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid
  • IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid
    IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid
  • InChI key:TVTYMGFOGZRIHG-XUXIUFHCSA-N
  • Molecular Formula:C19H30N4O10S
  • Molecular Weight:506.53
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
    SMILES:CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
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