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  3. HIT214315339
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HIT214315339
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HIT214315339
  • HIT ID:HIT214315339
  • Cas No:251359-24-7
  • 常用名:M2e, human
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]butanedioic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]butanedioic acid
  • InChI key:RTQXWAJLBWSLHM-MCSFJBBVSA-N
  • 分子式:C107H170N32O41S2
  • 分子量:2624.84
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O
  • M2e, human, a vaccine candidate for human influenza A, encompasses the 23 extracellular residues of M2 (the third integral membrane protein of influenza A) and exhibits remarkable conservation across all strains, highlighting its potential as a broadly protective option.
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