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HIT218697945
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HIT218697945
  • HIT ID:HIT218697945
  • Cas No:648881-58-7
  • 常用名:CLIP (86-100)
  • 别名:CLIP 86-100
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S)-3-methyl-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanamido]hexanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]propanoic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-hydroxy-2-[(2S)-3-methyl-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanamido]hexanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]propanoic acid
  • InChI key:WMBSDMIQCRNTSY-DZBIDPSHSA-N
  • 分子式:C72H128N20O19S3
  • 分子量:1674.12
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(O)=O
    SMILES:CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(O)=O
  • CLIP (86-100) is amino acids 86 to 100 fragment of class II-associated invariant chain peptide called CLIP. The major histocompatibility complex class II molecule displays peptide fragments of foreign proteins to trigger a defensive reaction from the immune system. Before insertion of the foreign peptides into the binding groove, a place-holding peptide CLIP is removed. CLIP (86-100) is accomplished by the molecule DM, which is shown to increase the dissociation rate of a CLIP peptide from class II.
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