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HIT214322449
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HIT214322449
  • HIT ID:HIT214322449
  • Cas No:1373516-71-2
  • 常用名:Histone H3 (21-44)
  • 别名:Histone H3 (21-44)
  • IUPAC:2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]propanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanamido]acetamido}acetamido)-3-methylbutanamido]hexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetic acid
    IUPAC:2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]propanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanamido]acetamido}acetamido)-3-methylbutanamido]hexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetic acid
  • InChI key:CUGFAOZKGFIRML-KAYREGOISA-N
  • 分子式:C109H185N39O29
  • 分子量:2505.923
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |@@:1|
    SMILES:CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |@@:1|
  • Histone H3 (21-44), derived from a sequence of 21-44 amino acids of histone H3, is commonly employed as a substrate, particularly for protein arginine methyltransferase assays, where methylation activity is being examined.
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