[(16E,18E)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[methyl-[2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoyl]amino]propanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(16E,18E)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[methyl-[2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoyl]amino]propanoate
• 化学式: C₄₀H₅₇ClN₄O₉S₂
• 分子量: 837.5
• InChiKey: GWVRVQZCJILMNO-OAHJFGPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  209
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• METHODS FOR THE ACYLATION OF MAYTANSINOL
  申请人：Widdison Wayne C.

  公开号：US20140142297A1

  公开（公告）日：2014-05-22

  Disclosed is a method of preparing an amino acid ester of maytansinol by reacting maytansinol with an N-carboxyanhydride of an amino acid (NCA) in the presence of a drying agent. Also disclosed is an improved method of preparing an amino acid ester of maytansinol in which a nucleophile is added to the reaction mixture after completion of the reaction between maytansinol and an N-carboxyanhydride of an amino acid.
• US9012629B2
  申请人：——

  公开号：US9012629B2

  公开（公告）日：2015-04-21
• US9469655B2
  申请人：——

  公开号：US9469655B2

  公开（公告）日：2016-10-18
• US9796731B2
  申请人：——

  公开号：US9796731B2

  公开（公告）日：2017-10-24