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HIT212710430
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HIT212710430
  • HIT ID:HIT212710430
  • Cas No:132116-39-3
  • 常用名:Peptide 74
  • IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
    IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
  • InChI key:DAZBILQQVFBVPE-XKKUQSFHSA-N
  • 分子式:C62H107N23O20S2
  • 分子量:1558.8
  • 氢键供体数 (HBD):25
  • 氢键受体数 (HBA):28
  • LogP:-16.116062
  • SMILES:CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O
    SMILES:CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O
  • Peptide 74 is a synthetic peptide. It also inhibits the activated form of this enzyme.
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    TargetMolSC
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