(2S)-2-amino-N-[2-[[(3Z,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-4-(1H-imidazol-5-ylmethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-2,3,5,8,11,14,17,20,23,26,29,32,35-tridecazabicyclo[37.2.2]tritetraconta-1(41),3,39,42-tetraen-37-yl]amino]-2-oxoethyl]propanamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-amino-N-[2-[[(3Z,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-4-(1H-imidazol-5-ylmethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-2,3,5,8,11,14,17,20,23,26,29,32,35-tridecazabicyclo[37.2.2]tritetraconta-1(41),3,39,42-tetraen-37-yl]amino]-2-oxoethyl]propanamide
• 化学式: C₈₄H₁₁₀N₂₂O₁₇
• 分子量: 1699.9
• InChiKey: SHIIRGJOLVETGS-CJPYWXIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  123
• 可旋转键数：
  27
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  629
• 氢给体数：
  23
• 氢受体数：
  23