kappa-Bungarotoxin (reduced) 65 | 88232-11-5

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: kappa-Bungarotoxin (reduced) 65
• 英文别名: (2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(1R,2aS,4S,5aS,7S,8aS,10S,11aR,13S,16S,18aS,19R,21aS,22S,24aS,25S,28S,30aS,31R,33aS,34S,37S,40S,49S,52S,55S,58S,61S,67R,72R,75S,78S,81S,87S,90S,93S,96S)-10,25-bis(4-aminobutyl)-11a-[[(2S,3R)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-30a-(2-amino-2-oxoethyl)-16,24a,61,78-tetrakis(3-amino-3-oxopropyl)-4,28-dibenzyl-5a,18a,37,55-tetrakis[(2S)-butan-2-yl]-40-(3-carbamimidamidopropyl)-58-(2-carboxyethyl)-21a,22-bis(carboxymethyl)-75,87-bis[(1R)-1-hydroxyethyl]-2a,34,90,93-tetrakis(hydroxymethyl)-13-methyl-7,8a-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,14,17,17a,20,20a,23,23a,26,26a,29,29a,32,32a,35,38,38a,41,44,50,53,56,59,62,65,74,77,80,86,89,92,95-nonatriacontaoxo-52-propan-2-yl-13a,14a,40a,41a,69,70-hexathia-a,3,3a,6,6a,9,9a,12,15,16a,18,19a,21,22a,24,25a,27,28a,30,31a,33,36,37a,39,42,45,51,54,57,60,63,66,73,76,79,85,88,91,94-nonatriacontazaheptacyclo[70.43.23.419,31.045,49.081,85.096,100.0133,137]dotetracontahectane-67-carbonyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-26-(2-amino-2-oxoethyl)-38-(3-amino-3-oxopropyl)-35-benzyl-20,32-bis(3-carbamimidamidopropyl)-17,29-bis(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-11,14-bis(2-methylpropyl)-2,10,13,16,19,22,25,28,31,34,37,40-dodecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36,39-dodecazabicyclo[39.3.0]tetratetracontane-8-carbonyl]amino]-7-(2-amino-2-oxoethyl)-10-(carboxymethyl)-13,16-bis[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-amino-4-oxobutanoic acid
• CAS: 88232-11-5
• 化学式: C₂₉₇H₄₆₈N₈₈O₉₆S₁₀
• 分子量: 7128.0
• InChiKey: AWMJWIAATNJHOF-YJBUNQQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -28.5
• 重原子数：
  491
• 可旋转键数：
  166
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  3230
• 氢给体数：
  101
• 氢受体数：
  113