3-[38-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-[2-[N-(carboxymethyl)-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]-6,14,21,24,27,30,33,39,42,45,48,50,58,61,64,65,68,71,74-nonadecahydroxy-60-(1-hydroxyethyl)-72-(1H-imidazol-5-ylmethyl)-47-(1H-indol-3-ylmethyl)-44-methylidene-41-propan-2-yl-3,10,17,36,55-pentathia-7,13,20,23,26,29,32,40,43,46,49,51,59,62,63,66,69,70,73-nonadecazapentacyclo[32.15.13.55,19.58,15.252,57]tetraheptaconta-6,13,20,23,26,29,32,39,42,45,48,50,58,61,63,65,68,70,73-nonadecaen-31-yl]propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 3-[38-[[2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxybut-2-enylidene]amino]-12-[2-[N-(carboxymethyl)-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]-6,14,21,24,27,30,33,39,42,45,48,50,58,61,64,65,68,71,74-nonadecahydroxy-60-(1-hydroxyethyl)-72-(1H-imidazol-5-ylmethyl)-47-(1H-indol-3-ylmethyl)-44-methylidene-41-propan-2-yl-3,10,17,36,55-pentathia-7,13,20,23,26,29,32,40,43,46,49,51,59,62,63,66,69,70,73-nonadecazapentacyclo[32.15.13.55,19.58,15.252,57]tetraheptaconta-6,13,20,23,26,29,32,39,42,45,48,50,58,61,63,65,68,70,73-nonadecaen-31-yl]propanoic acid
• 化学式: C₉₀H₁₂₅N₂₇O₂₈S₅
• 分子量: 2193.5
• InChiKey: LEODRKCPDOGTPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.8
• 重原子数：
  150
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  952
• 氢给体数：
  28
• 氢受体数：
  35