牛胰岛素

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 中文名称: 牛胰岛素
• 中文别名: 胰岛素；重组人胰岛素
• 英文名称: (4S)-5-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-2-[N-[(2S)-6-amino-1-[(1S)-1-carboxyethyl]imino-1-hydroxyhexan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-4-[[2-[[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-24,56-bis(2-carboxyethyl)-47-[N-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]-C-hydroxycarbonimidoyl]-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosahydroxy-53-(2-hydroxy-2-iminoethyl)-62-(3-hydroxy-3-iminopropyl)-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-27,83-dimethyl-18,30,36,59,68-pentakis(2-methylpropyl)-21,39,77-tri(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononaconta-7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosaen-42-yl]-hydroxymethylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid
• 化学式: C₂₅₄H₃₇₇N₆₅O₇₅S₆
• 分子量: 5734.0
• InChiKey: IXIBAKNTJSCKJM-BUBXBXGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.8
• 重原子数：
  400
• 可旋转键数：
  176
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  2410
• 氢给体数：
  76
• 氢受体数：
  87