Vasoactive intestinal octacosapeptide (pig), N-acetyl-8-L-glutamic acid-12-L-lysine-17-L-norleucine-19-L-alanine-25-L-aspartic acid-26-L-leucine-27-L-lysine-28-L-lysine-28a-glycine-28b-glycine-28c-L-threoninamide-, cyclic (25-21)-peptide | 159427-08-4

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Vasoactive intestinal octacosapeptide (pig), N-acetyl-8-L-glutamic acid-12-L-lysine-17-L-norleucine-19-L-alanine-25-L-aspartic acid-26-L-leucine-27-L-lysine-28-L-lysine-28a-glycine-28b-glycine-28c-L-threoninamide-, cyclic (25-21)-peptide
• 英文别名: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-2-[[2-[[2-[[(2S,5S,8S,11S)-8-(4-aminobutyl)-2-(2-amino-2-oxoethyl)-5-(2-methylpropyl)-3,6,9-trioxo-1,4,7,10-tetrazacyclopentadecane-11-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]oxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
• CAS: 159427-08-4
• 化学式: C₁₆₀H₂₅₈N₄₆O₄₆
• 分子量: 3562.0
• InChiKey: MHCMFKNGHCJIDZ-RQYGEWOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.9
• 重原子数：
  252
• 可旋转键数：
  117
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  1520
• 氢给体数：
  52
• 氢受体数：
  55