2-[44-Amino-37-(2-amino-2-oxoethyl)-50-(3-amino-3-oxopropyl)-4,16,22-tribenzyl-47-(3-carbamimidamidopropyl)-41,70-dimethyl-65-oxalo-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-25-propan-2-yl-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]triheptacontan-31-yl]-2-hydroxyacetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 2-[44-Amino-37-(2-amino-2-oxoethyl)-50-(3-amino-3-oxopropyl)-4,16,22-tribenzyl-47-(3-carbamimidamidopropyl)-41,70-dimethyl-65-oxalo-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-25-propan-2-yl-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]triheptacontan-31-yl]-2-hydroxyacetic acid
• 英文别名: 2-[44-amino-37-(2-amino-2-oxoethyl)-50-(3-amino-3-oxopropyl)-4,16,22-tribenzyl-47-(3-carbamimidamidopropyl)-41,70-dimethyl-65-oxalo-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-25-propan-2-yl-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]triheptacontan-31-yl]-2-hydroxyacetic acid
• 化学式: C₉₀H₁₂₅N₂₅O₂₆S₃
• 分子量: 2069.3
• InChiKey: XVMBAMGBVVODFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.5
• 重原子数：
  144
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  889
• 氢给体数：
  27
• 氢受体数：
  32