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HIT220913415
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HIT220913415
  • HIT ID:HIT220913415
  • Cas No:188427-41-0
  • 常用名:HCV NS4A Protein (18-40) (JT strain)
    常用名:HCV NS4A Protein (18-40) (JT strain)
  • IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-4-methylpentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}-3-hydroxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylpentanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
    IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-4-methylpentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}-3-hydroxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylpentanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
  • InChI key:InChIKey=OVXPBHCDEJYNGA-CVDSEOOHSA-N
  • 分子式:C104H183N29O30
  • 分子量:2319.781
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(O)=O
  • HCVNS4A Protein (18-40) (JT strain) 为HCVNS4A 肽,由第18至40个NS4A蛋白残基构成,能够增强NS3蛋白酶的催化效率。
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