methyl (Z)-7-[(1R,2S,3R,5S)-3,5-bis(oxan-2-yloxy)-2-(2-phenylethylcarbamothioyloxymethyl)cyclopentyl]hept-5-enoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (Z)-7-[(1R,2S,3R,5S)-3,5-bis(oxan-2-yloxy)-2-(2-phenylethylcarbamothioyloxymethyl)cyclopentyl]hept-5-enoate
• 化学式: C₃₃H₄₉NO₇S
• 分子量: 603.8
• InChiKey: DFDSIVRXDUJRMR-HMBKQLHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY COMPOUNDS AS THERAPEUTIC AGENTS
  申请人：Old W. David

  公开号：US20070219256A1

  公开（公告）日：2007-09-20

  The invention relates to the use of cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and carbamoyloxy as therapeutic agents e.g. as ocular hypotensives. The compounds used in accordance with the invention are represented by the following formula I: wherein a wavy segments indicate either the alpha (α) or beta (β) configuration; the dashed bond represents a double bond or a single bond; U, Y, X, R 1 , Ar, n, x and y are as defined in the specification.