methyl 2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-3-methylbutanoyl]amino]acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-3-methylbutanoyl]amino]acetate
• 化学式: C₆₂H₆₅N₅O₇S₃
• 分子量: 1088.4
• InChiKey: AOIKKJVXIMXEJI-HXATWEQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  77
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  255
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• DEPSIPEPTIDES AND THEIR THERAPEUTIC USE
  申请人：Karus Therapeutics Limited

  公开号：EP2293845A1

  公开（公告）日：2011-03-16
• [EN] DEPSIPEPTIDES AND THEIR THERAPEUTIC USE<br/>[FR] DEPSIPEPTIDES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2009141657A1

  公开（公告）日：2009-11-26

  A compound of formula (IX) or (X): including pharmaceutically acceptable salts thereof; wherein: X is -C(=O)N(R10)- or -CH(OPr3) -; R7 and R9 are the same or different and represent hydrogen or a natural or unnatural amino acid side chain moiety; each R10 is the same or different and represents hydrogen, C1-C6 alkyl, C2-C6 alkenyl or C2-C6 alkynyl; Pr1 and Pr2 are the same or different and represent hydrogen or a thiol protecting group; Pr3 is hydrogen or an alcohol protecting group; R1 and R5 are the same or different and represent Y or a natural or unnatural amino acid side-chain moiety, provided that R1 and R5 are not both a natural or unnatural amino acid side chain moiety; and Y is as defined in the application.