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HIT214322448
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HIT214322448
  • HIT ID:HIT214322448
  • Cas No:1373320-65-0
  • 常用名:Histone H3 (1-25), amide
  • 别名:Histone H3 (1-25), amide
  • IUPAC:(2S)-N-[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2R)-1-({[({[(1S)-5-amino-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoylethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]hexanamido]pentanediamide
    IUPAC:(2S)-N-[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2R)-1-({[({[(1S)-5-amino-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoylethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]hexanamido]pentanediamide
  • InChI key:YNLQDZAEUXMPIO-FZRLICTESA-N
  • 分子式:C110H202N42O32
  • 分子量:2625.088
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](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](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O
    SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](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](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O
  • Histone H3 (1-25), amide is a N-terminal peptide fragment of histone H3 that serves as a substrate for histone methyltransferases (HMTs). It can be utilized to identify the substrate for HMTs. Compared to histone H3 (15-39) and full-length histone H3, Histone H3 (1-25), amide proves to be more efficient as a substrate for HMT G9a.
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