4-[[7-Amino-1-[[5-amino-1-[[15-(4-aminobutyl)-6-(2-amino-1-ethoxy-2-oxoethyl)-9-(3-amino-3-oxopropyl)-3-(carboxymethyl)-18-(1-hydroxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-2,3-dihydroxy-1,7-dioxoheptan-4-yl]amino]-3-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoic acid

• 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: 4-[[7-Amino-1-[[5-amino-1-[[15-(4-aminobutyl)-6-(2-amino-1-ethoxy-2-oxoethyl)-9-(3-amino-3-oxopropyl)-3-(carboxymethyl)-18-(1-hydroxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-2,3-dihydroxy-1,7-dioxoheptan-4-yl]amino]-3-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoic acid
• 英文别名: 4-[[7-amino-1-[[5-amino-1-[[15-(4-aminobutyl)-6-(2-amino-1-ethoxy-2-oxoethyl)-9-(3-amino-3-oxopropyl)-3-(carboxymethyl)-18-(1-hydroxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-2,3-dihydroxy-1,7-dioxoheptan-4-yl]amino]-3-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]-4-oxobutanoic acid
• 化学式: C₇₄H₁₂₆N₁₆O₂₆
• 分子量: 1655.9
• InChiKey: GTYJXVFIZIPDHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  116
• 可旋转键数：
  40
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  692
• 氢给体数：
  20
• 氢受体数：
  27

文献信息

• [EN] SYNTHETIC PROCESS FOR THE MANUFACTURE OF PIPECOLIDEPSIN COMPOUNDS<br/>[FR] PROCÉDÉ DE SYNTHÈSE POUR LA FABRICATION DE COMPOSÉS DE PIPÉCOLIDEPSINE
  申请人：PHARMA MAR SA

  公开号：WO2014108526A1

  公开（公告）日：2014-07-17

  (I) wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, n and Y are as described. The invention provides a process for the synthesis of complex pipecolidepsin and related compounds of formula (I), opening a new field of compounds with useful biological properties. The invention also provides intermediates, useful in the synthesis of compounds of formula (I).