KISTRIN来源于红口蝮(马来亚红口蝮)毒液

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 中文名称: KISTRIN来源于红口蝮(马来亚红口蝮)毒液
• 英文名称: (4S)-5-[[(aR,1R,2bR,3aS,6R,6aS,9S,9aS,11bS,12aS,14bR,15S,15aS,21R,21aS,24S,24aS,27S,27aR,30aS,33S,33aS,39S,39aS,42S,42aS,45S,48R,48aS,51S,51aS,54S,57S,57aS,60S,60aS,63R,63aS,66aS,68R,71S,71aS,74S,77aS,80S,80aS,83S,83aS,86S,86aS,89aR,92S,95R,96aS,99aS)-3a,21a,45-tris(4-aminobutyl)-6a-benzyl-24a,33a-bis[(2S)-butan-2-yl]-89a-[(2S)-2-[N-[(2S)-5-carbamimidamido-1-[(2S)-1-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]-12a,30a,39,42a,66a-pentakis(3-carbamimidamidopropyl)-15,83,99a-tris(2-carboxyethyl)-11b,48a,60,60a,63a,86a-hexakis(carboxymethyl)-1a,1b,4a,7a,7b,8,10a,10b,11,13a,13b,14,16a,17,19a,20,20b,22a,23,25a,26,28a,29,31a,32,40a,41,43a,44,46a,47,49a,50,53,56,58a,59,61a,62,64a,67a,69,69a,72,72a,75a,78a,81,81a,84,84a,87a,93,95a,98a-pentapentacontahydroxy-51,71a-bis[(1R)-1-hydroxyethyl]-86-(2-hydroxy-2-iminoethyl)-24,77a,96a-tris(3-hydroxy-3-iminopropyl)-9a,71,74,80a-tetrakis(hydroxymethyl)-15a,27,54,57,83a-pentamethyl-9,42-bis(2-methylpropyl)-51a-(2-methylsulfanylethyl)-34a,38,52a,75,87-pentaoxo-3,4,4b,5b,16b,17b,65,66,91a,92a,97,98-dodecathia-b,2a,5a,7,8a,8b,9b,10,11a,12b,13,14a,16,17a,19,19b,20a,22,23a,25,26a,28,29a,31,32a,35a,37,40,41a,43,44a,46,47a,49,50a,52,53a,55,58,59a,61,62a,65a,68a,70,70a,73,73a,76,76a,79a,82,82a,85,85a,88,88a,94,94a,97a-hexacontazaundecacyclo[125.41.25.1321,100.1048,68.263,95.033,37.076,80.088,92.0135,139.0153,157.26,202]icosadicta-b(1b),1a(2a),4a(5a),7,7a(8a),7b(8b),9b(10b),10,10a(11a),12b(13b),13,13a(14a),16,16a(17a),19,19a(20a),19b(20b),22,22a(23a),25,25a(26a),28,28a(29a),31,31a(32a),40,40a(41a),43,43a(44a),46,46a(47a),49,49a(50a),52,55,58,58a(59a),61,61a(62a),64a(65a),67a(68a),69,69a(70a),72,72a(73a),75a(76a),78a(79a),81,81a(82a),84,84a(85a),87a(88a),93,94a(95a),97a(98a)-pentapentacontaen-14b-yl]imino]-4-[[(2S)-6-amino-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxyhexylidene]amino]-5-hydroxypentanoic acid
• 化学式: C₂₉₁H₄₅₈N₉₆O₁₀₀S₁₃
• 分子量: 7318.0
• InChiKey: ZTYNVDHJNRIRLL-FWZKYCSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -43.5
• 重原子数：
  500
• 可旋转键数：
  118
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  3480
• 氢给体数：
  107
• 氢受体数：
  125