methyl 2-[[2-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-2-methylpropanoyl]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-[[2-[[(2S)-2-[[(2R)-2-[[(3S)-3-hydroxy-7-tritylsulfanylhept-4-enoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-2-methylpropanoyl]amino]acetate
• 化学式: C₆₃H₆₅N₅O₇S₂
• 分子量: 1068.4
• InChiKey: IHDBMNJAOQAAST-AKNLOROWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  77
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  226
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• Depsipeptides and Their Therapeutic Use
  申请人：Shuttleworth Stephen Joseph

  公开号：US20110112090A1

  公开（公告）日：2011-05-12

  A Compound of structure (IX) or (X) or a pharmaceutically acceptable salt thereof, wherein: X is —C(═O)N(R 10 )— or —CH(OPr 3 )—; R 7 , R 9 and R 10 are the same or different and represent hydrogen or an amino acid side chain moiety from either a natural or an unnatural amino acid; Pr 1 and Pr 2 are the same or different and represent hydrogen or a thiol protecting group; Pr 3 is hydrogen or an alcohol protecting group; R 1 , R 2 , R 5 and R 6 are the same or different and represent hydrogen or an amino acid side chain moiety from either a natural or an unnatural amino acid, or R 1 and R 2 and/or R 5 and R 6 , taken together with the carbon atom to which they are attached, form a spirocyclic moiety, with the proviso that: each of R 1 and R 2 is not hydrogen, or each of R 5 and R 6 is not hydrogen.

  一种结构化合物（IX）或（X）或其药学上可接受的盐，其中：X为—C(═O)N(R10)—或—CH(OPr3)—；R7、R9和R10相同或不同，代表氢或来自天然或非天然氨基酸的氨基酸侧链基团；Pr1和Pr2相同或不同，代表氢或巯基保护基团；Pr3为氢或醇保护基团；R1、R2、R5和R6相同或不同，代表氢或来自天然或非天然氨基酸的氨基酸侧链基团，或R1和R2和/或R5和R6，与它们连接的碳原子一起形成螺环基团，条件是：R1和R2中的每一个都不是氢，或R5和R6中的每一个都不是氢。
• DEPSIPEPTIDES AND THEIR THERAPEUTIC USE
  申请人：Karus Therapeutics Limited

  公开号：EP2293846A1

  公开（公告）日：2011-03-16
• Depsipeptides and their therapeutic use
  申请人：Karus Therapeutics Limited

  公开号：EP2293846B1

  公开（公告）日：2013-07-10
• US8614193B2
  申请人：——

  公开号：US8614193B2

  公开（公告）日：2013-12-24
• [EN] DEPSIPEPTIDES AND THEIR THERAPEUTIC USE<br/>[FR] DEPSIPEPTIDES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2009141658A1

  公开（公告）日：2009-11-26

  A Compound of structure (IX) or (X) or a pharmaceutically acceptable salt thereof, wherein: X is -C(=O)N(R10 )- or -CH(OPr3 ) -; R7, R9 and R10 are the same or different and represent hydrogen or an amino acid side chain moiety from either a natural or an unnatural amino acid; 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, R2, R5 and R6 are the same or different and represent hydrogen or an amino acid side chain moiety from either a natural or an unnatural amino acid, or R1 and R2 and/or R5 and R6, taken together with the carbon atom to which they are attached, form a spirocyclic moiety, with the proviso that: each of R1 and R2 is not hydrogen, or each of R5 and R6 is not hydrogen.