Pubchem_16133878 | 331714-57-9

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Pubchem_16133878
• 英文别名: 3-[(aR,1S,3aS,4R,6aR,7S,9aS,10R,12aR,13S,16R,19S,22R,28R,31S,34S,37R,40S,46S,52R,55R,58R,61R,67R,70R,73R,76R,79S,82R,88S,91R,94R,97R)-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-[(2R)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis[(1S)-1-hydroxyethyl]-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid
• CAS: 331714-57-9
• 化学式: C₁₅₉H₂₄₈N₄₈O₅₅S₆
• 分子量: 3904.4
• InChiKey: CFRTULIKXDWFLG-AFNHSDNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.2
• 重原子数：
  268
• 可旋转键数：
  50
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  1790
• 氢给体数：
  58
• 氢受体数：
  65