3-[(7R,10S,16S,19S,22S,25R,28R,31S,34S,37S,40S,43S,46S,49R)-7-[(2-amino-2-oxoethyl)carbamoyl]-37-(3-amino-3-oxopropyl)-49-[[(2S)-2-aminopropanoyl]amino]-10-benzyl-19,31-bis(carboxymethyl)-16,43-bis[3-(diaminomethylideneamino)propyl]-22-[(4-hydroxyphenyl)methyl]-40-methyl-46-(2-methylpropyl)-9,12,15,18,21,24,27,30,33,36,39,42,45,48-tetradecaoxo-25-propan-2-yl-5,51,56-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44,47-tetradecazatricyclo[26.26.3.13,53]octapentaconta-1(54),2,53(58)-trien-34-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-[(7R,10S,16S,19S,22S,25R,28R,31S,34S,37S,40S,43S,46S,49R)-7-[(2-amino-2-oxoethyl)carbamoyl]-37-(3-amino-3-oxopropyl)-49-[[(2S)-2-aminopropanoyl]amino]-10-benzyl-19,31-bis(carboxymethyl)-16,43-bis[3-(diaminomethylideneamino)propyl]-22-[(4-hydroxyphenyl)methyl]-40-methyl-46-(2-methylpropyl)-9,12,15,18,21,24,27,30,33,36,39,42,45,48-tetradecaoxo-25-propan-2-yl-5,51,56-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44,47-tetradecazatricyclo[26.26.3.13,53]octapentaconta-1(54),2,53(58)-trien-34-yl]propanoic acid
• 化学式: C₈₇H₁₂₇N₂₅O₂₅S₃
• 分子量: 2019.3
• InChiKey: KFQMGWFQBHKBGY-AJMLUNNDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.7
• 重原子数：
  140
• 可旋转键数：
  30
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  915
• 氢给体数：
  27
• 氢受体数：
  31