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HIT212671586
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HIT212671586
  • HIT ID:HIT212671586
  • Cas No:799822-08-5
  • 常用名:Tubulysin G
  • IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2S,3S)-3-methyl-N-{[(3-methylbut-2-enoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}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-[(2S,3S)-3-methyl-N-{[(3-methylbut-2-enoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
  • InChI key:QRLSJCMHFBSSJW-OEJISELMSA-N
  • 分子式:C43H63N5O10S
  • 分子量:842.06
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):10
  • LogP:3.540363
  • SMILES:[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6])-[#6](=O)-[#7](-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6@H](-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)-c1nc(cs1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6]
    SMILES:[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6])-[#6](=O)-[#7](-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6@H](-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)-c1nc(cs1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6]
  • Tubulysin G is a natural product isolated from the myxobacterial species Archangium geophyra and Angiococcus disciformis, and is a highly cytotoxic peptide. Tubulysin G is a cytotoxic activity tubulysin that inhibits tubulin polymerization and leads to cell cycle arrest and apoptosis.
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