奈西利肽

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 中文名称: 奈西利肽
• 英文名称: Brain Natriuretic Peptide (1-32), human
• 英文别名: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(4R,10S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31,43-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecahydroxy-16,19,22,25-tetrakis(hydroxymethyl)-10-(2-methylpropyl)-37-(2-methylsulfanylethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentaconta-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaen-4-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-3-(1H-imidazol-5-yl)propanoic acid
• 化学式: C₁₄₃H₂₄₄N₅₀O₄₂S₄
• 分子量: 3464.0
• InChiKey: HPNRHPKXQZSDFX-OAQDCNSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.5
• 重原子数：
  239
• 可旋转键数：
  89
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  1620
• 氢给体数：
  54
• 氢受体数：
  55