[34-(2-amino-3-methylpentanamido)-7-(3-carbamimidamidopropyl)-4-[(1-carbamoyl-2-hydroxypropyl)carbamoyl]-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [34-(2-amino-3-methylpentanamido)-7-(3-carbamimidamidopropyl)-4-[(1-carbamoyl-2-hydroxypropyl)carbamoyl]-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
• 英文别名: 2-[4-[(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl]-34-[(2-amino-3-methylpentanoyl)amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid
• 化学式: C₆₆H₉₉N₂₃O₁₇S₂
• 分子量: 1550.8
• InChiKey: RDTRHBCZFDCUPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.7
• 重原子数：
  108
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  707
• 氢给体数：
  22
• 氢受体数：
  23