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HIT218851917
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HIT218851917
  • HIT ID:HIT218851917
  • Cas No:1201633-99-9
  • 常用名:HIF-1 alpha (556-574)
  • 别名:HIF-1 alpha 556-574
  • IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S,3S,4R)-2-{[(1S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}propyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}(3,4-2H2)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
    IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S,3S,4R)-2-{[(1S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}propyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}(3,4-2H2)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
  • InChI key:AIEACJWERUSQII-UYSQSXLQSA-N
  • 分子式:C101H152N20O34S2
  • 分子量:2256.57
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[2H][C@H]1CN([C@@H]([C@H]1[2H])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O
    SMILES:[2H][C@H]1CN([C@@H]([C@H]1[2H])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O
  • HIF-1 alpha (556-574) is a hypoxia-inducible factor-1 19-mer fragment. HIF-1 functions as a master regulator of oxygen homeostasis by initiating hypoxia-induced gene expression when the HIF-1 subunit is stabilized due to lack of oxygen. This fragment binds to the von Hippel-Lindau factor (VHL), an E3 ubiquitin ligase, with proline 564 being essential to the binding process.
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