(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-7-amino-21-benzyl-24,27,30-tris(3-guanidinopropyl)-4-[(4-hydroxyphenyl)methyl]-15-isopropyl-3,6,14,17,20,23,26,29,32-nonaoxo-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-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,7R,12R,15S,18R,21S,24S,27S,30S)-7-amino-21-benzyl-24,27,30-tris(3-guanidinopropyl)-4-[(4-hydroxyphenyl)methyl]-15-isopropyl-3,6,14,17,20,23,26,29,32-nonaoxo-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide
• 英文别名: (1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-7-amino-21-benzyl-24,27,30-tris[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-15-propan-2-yl-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide
• 化学式: C₅₃H₈₂N₂₀O₁₁S₄
• 分子量: 1303.6
• InChiKey: CMCHILIDFINSRP-QMAXXTOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4
• 重原子数：
  88
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  646
• 氢给体数：
  18
• 氢受体数：
  19