(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,21,24-pentakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-6,9,18,21,24-pentakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• 化学式: C₆₂H₁₁₁N₁₁O₁₃
• 分子量: 1218.6
• InChiKey: RXQFIJPCAOCJDB-FMOTYOMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  86
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  308
• 氢给体数：
  7
• 氢受体数：
  13

文献信息

• Cyclic Peptide Compounds
  申请人：Neya Masahiro

  公开号：US20090170755A1

  公开（公告）日：2009-07-02

  The present invention relates to a new cyclic peptide compound or a salt thereof, which has anti-hepatitis C virus activities based on inhibitory activity against the RNA replication of hepatitis C virus replicon, to a process for preparation thereof comprising a rearrangement reaction under a mild acidic condition and the following amino acid changing reactions etc., to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of hepatitis C in a human being or an animal.

  本发明涉及一种新的环肽化合物或其盐，其具有抗乙型肝炎病毒活性，基于其对乙型肝炎病毒复制体RNA复制的抑制活性，以及一种制备该化合物的过程，包括在温和酸性条件下进行的重排反应和以下氨基酸变化反应等，还涉及到包含该化合物的制药组合物，以及在人类或动物中预防和/或治疗乙型肝炎的方法。
• NEW CYCLIC PEPTIDE COMPOUNDS
  申请人：Astellas Pharma Inc.

  公开号：EP1957518B1

  公开（公告）日：2015-12-09
• Cyclic Peptide Compound
  申请人：Kobayashi Motoo

  公开号：US20080214447A1

  公开（公告）日：2008-09-04

  A cyclic peptide compound of the following general formula (I): Wherein R 1 , R 2 and R 3 are defined in the description, or a salt thereof. The compound (I) is useful for the prophylactic and/or therapeutic treatment of hepatitis C.
• US7696167B2
  申请人：——

  公开号：US7696167B2

  公开（公告）日：2010-04-13
• US7872097B2
  申请人：——

  公开号：US7872097B2

  公开（公告）日：2011-01-18