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HIT212671582
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HIT212671582
  • HIT ID:HIT212671582
  • Cas No:205304-88-7
  • 常用名:Tubulysin C
  • IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}-N-[(propanoyloxy)methyl]pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
    IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-2-{[(2R)-1-methylpiperidin-2-yl]formamido}-N-[(propanoyloxy)methyl]pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • InChI key:NZCNGJHOIKMMCG-UZRVFEFTSA-N
  • 分子式:C41H61N5O10S
  • 分子量:816.02
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):10
  • LogP:2.6212764
  • SMILES:[H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C
    SMILES:[H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C
  • Tubulysin C is a natural product isolated from the myxobacterial species Archangium geophyra and Angiococcus disciformis, and is a highly cytotoxic peptide.
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