(1R,4S,13S,16S,19S,22S,25R,30R,33S,36S,39S,42S,51S,54R,57S,60S,63R,68R,71S,74S,86S,89S)-68-amino-36,71-bis(4-aminobutyl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-22,51-bis(2-amino-2-oxoethyl)-33,60-bis(3-carbamimidamidopropyl)-9,46,79-trihydroxy-13,39-bis[(1R)-1-hydroxyethyl]-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosazahexacyclo[52.37.4.225,63.06,10.045,49.076,80]heptanonacontane-30-carboxamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (1R,4S,13S,16S,19S,22S,25R,30R,33S,36S,39S,42S,51S,54R,57S,60S,63R,68R,71S,74S,86S,89S)-68-amino-36,71-bis(4-aminobutyl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-22,51-bis(2-amino-2-oxoethyl)-33,60-bis(3-carbamimidamidopropyl)-9,46,79-trihydroxy-13,39-bis[(1R)-1-hydroxyethyl]-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosazahexacyclo[52.37.4.225,63.06,10.045,49.076,80]heptanonacontane-30-carboxamide
• 化学式: C₁₂₀H₁₈₂N₃₈O₄₃S₆
• 分子量: 3037.4
• InChiKey: DRVGOMCWRXUORL-QPEMYEDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.8
• 重原子数：
  207
• 可旋转键数：
  39
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  1500
• 氢给体数：
  49
• 氢受体数：
  54