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HIT218849843
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HIT218849843
  • HIT ID:HIT218849843
  • Cas No:
  • 常用名:AtPep1
  • IUPAC:(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]hexanamido]propanamido]hexanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]butanoic acid
    IUPAC:(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]hexanamido]propanamido]hexanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]butanoic acid
  • InChI key:OMMXWJUXCIGXAL-NVTQDIJWSA-N
  • 分子式:C104H183N39O32
  • 分子量:2491.849
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(O)=O
    SMILES:CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(O)=O
  • AtPep1是一种植物诱导肽,可激活防御基因defensin (PDF1.2)的转录,并促进H2O2的合成,这两者都是针对病原体的先天免疫反应的部分组成。AtPep1可以从Arabidopsis叶子提取物中分离。
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