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  3. HIT214324073
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HIT214324073
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HIT214324073
  • HIT ID:HIT214324073
  • Cas No:866404-31-1
  • 常用名:XJB-5-131
  • IUPAC:{4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3E,5S)-2-benzyl-5-{[(tert-butoxy)carbonyl]amino}-7-methyloct-3-enoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-5-{[(benzyloxy)carbonyl]amino}pentanamido]-2,2,6,6-tetramethylpiperidin-1-yl}oxidanyl
    IUPAC:{4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3E,5S)-2-benzyl-5-{[(tert-butoxy)carbonyl]amino}-7-methyloct-3-enoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-5-{[(benzyloxy)carbonyl]amino}pentanamido]-2,2,6,6-tetramethylpiperidin-1-yl}oxidanyl
  • InChI key:VDQKIDYOPUMJGQ-VQPCLXHQSA-N
  • 分子式:C53H80N7O9
  • 分子量:959.263
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)\C=C\[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1 |^1:64|
    SMILES:CC(C)C[C@H](NC(=O)OC(C)(C)C)\C=C\[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1 |^1:64|
  • XJB-5-131 is a synthetic, bi-functional antioxidant specifically designed to target mitochondria for the scavenging of reactive oxygen species (ROS) and electrons, thereby acting as a radical scavenger. Additionally, it serves as an effective protector and mitigator against ionizing irradiation for cord blood mononuclear cells (CB MNCs).
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