44-Amino-4,16-dibenzyl-22-butan-2-yl-31-[carboxy(hydroxy)methyl]-37-(1-hydroxyethyl)-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontane-65-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 44-Amino-4,16-dibenzyl-22-butan-2-yl-31-[carboxy(hydroxy)methyl]-37-(1-hydroxyethyl)-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontane-65-carboxylic acid
• 英文别名: 44-amino-4,16-dibenzyl-22-butan-2-yl-31-[carboxy(hydroxy)methyl]-37-(1-hydroxyethyl)-50-(hydroxymethyl)-25,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontane-65-carboxylic acid
• 化学式: C₈₀H₁₁₆N₂₀O₂₅S₃
• 分子量: 1854.1
• InChiKey: DNVMJLMJKLCCOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  128
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  764
• 氢给体数：
  24
• 氢受体数：
  30