(4R,5S,6S)-3-[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-oxopropyl]phenyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (4R,5S,6S)-3-[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-oxopropyl]phenyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C₂₃H₃₀N₄O₅S
• 分子量: 474.6
• InChiKey: DMOLXJPZOKHXIH-MJVHIPDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  184
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• Ketoreductase Polypeptides for the Production of Azetidinone
  申请人：Campopiano Onorato

  公开号：US20090162909A1

  公开（公告）日：2009-06-25

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds.

  本公开提供了经过改良的酮还原酶酶，其性能比自然存在的野生型酮还原酶酶有所提高。还提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。
• KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF AZETIDINONE
  申请人：Campopiano Onorato

  公开号：US20130034895A1

  公开（公告）日：2013-02-07

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds.

  本公开提供了经过改良的酮还原酶酶，其性能比自然存在的野生型酮还原酶酶有所提高。还提供了编码经过改良的酮还原酶酶的多核苷酸，能够表达经过改良的酮还原酶酶的宿主细胞，以及使用经过改良的酮还原酶酶合成各种手性化合物的方法。
• Ketoreductase polypeptides for the production of azetidinone
  申请人：CODEXIS, INC.

  公开号：US10597641B2

  公开（公告）日：2020-03-24

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds.

  本公开提供了与天然野生型酮还原酶相比具有更好特性的工程酮还原酶。还提供了编码工程酮还原酶的多核苷酸、能够表达工程酮还原酶的宿主细胞，以及使用工程酮还原酶合成各种手性化合物的方法。
• US7883879B2
  申请人：——

  公开号：US7883879B2

  公开（公告）日：2011-02-08
• US8470572B2
  申请人：——

  公开号：US8470572B2

  公开（公告）日：2013-06-25