2-[19-benzyl-14,21,28-trihydroxy-26-(2-hydroxy-2-iminoethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11-oxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),13,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-pentadecaen-36-yl]-N-[3-hydroxy-3-[1-[2-[C-hydroxy-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]carbonimidoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]iminoprop-1-en-2-yl]-1,3-thiazole-4-carboximidic acid

• 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: 2-[19-benzyl-14,21,28-trihydroxy-26-(2-hydroxy-2-iminoethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11-oxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),13,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-pentadecaen-36-yl]-N-[3-hydroxy-3-[1-[2-[C-hydroxy-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]carbonimidoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]iminoprop-1-en-2-yl]-1,3-thiazole-4-carboximidic acid
• 化学式: C₆₉H₆₆N₁₈O₁₃S₅
• 分子量: 1515.7
• InChiKey: WWWYMYPACSXBTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  105
• 可旋转键数：
  17
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  592
• 氢给体数：
  10
• 氢受体数：
  25

文献信息

• [EN] PEPTIDES AS BIOACTIVE COMPOUNDS<br/>[FR] PEPTIDES EN TANT QUE COMPOSÉS BIOACTIFS
  申请人：INST BIOMAR SA

  公开号：WO2012062906A1

  公开（公告）日：2012-05-18

  Compounds of general formula (I), or a pharmaceutically acceptable salt or stereoisomer thereof; a process for preparing compounds of formula (I) and their use in the treatment of cancer and bacterial infections.