(4R)-4-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-carboxy-1-hydroxy-2-(1-hydroxyethylideneamino)propylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxypropylidene]amino]-5-[(2R)-6-amino-1-[(2R)-1-[(2R)-6-amino-1-[(2R)-4-carboxy-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2R)-1-hydroxy-1-imino-3-phenylpropan-2-yl]iminopropan-2-yl]iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-5-hydroxypentanoic acid | 452782-06-8

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4R)-4-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-carboxy-1-hydroxy-2-(1-hydroxyethylideneamino)propylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxypropylidene]amino]-5-[(2R)-6-amino-1-[(2R)-1-[(2R)-6-amino-1-[(2R)-4-carboxy-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2R)-1-hydroxy-1-imino-3-phenylpropan-2-yl]iminopropan-2-yl]iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxyhexan-2-yl]imino-5-hydroxypentanoic acid
• CAS: 452782-06-8
• 化学式: C₁₁₄H₁₅₆N₂₄O₂₈
• 分子量: 2310.64
• InChiKey: ZKKBZMXTFBAQLP-INNXVHPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  166
• 可旋转键数：
  75
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  856
• 氢给体数：
  29
• 氢受体数：
  32

文献信息

• PRESERVING SECONDARY PEPTIDE STRUCTURE
  申请人：Novartis AG

  公开号：EP2167133A2

  公开（公告）日：2010-03-31
• [EN] PRESERVING SECONDARY PEPTIDE STRUCTURE<br/>[FR] CONSERVATION D'UNE STRUCTURE DE PEPTIDES SECONDAIRE
  申请人：NOVARTIS AG

  公开号：WO2009009552A2

  公开（公告）日：2009-01-15

  A method of preserving the a-helix secondary structure of N-Acetyl-D-Asp-D-Trp-D-Phe-D-Lys-D-Ala-D-Phe-D-Tyr-D-Asp-D-Lys-D-Val-D-Ala-D-Glu-D-Lys-D-Phe-D-Lys-D-Glu-D-Ala-D-Phe-Amide or N-Acetyl-L-Asp-L-Trp-L-Phe-L-Lys-L-Ala-L-Phe-L-Tyr-L-Asp-L-Lys-L-Val-L-Ala-L-Glu-L-Lys-L-Phe-L-Lys-L-Glu-L-Ala-L-Phe-Amide and compositions comprising such peptides are disclosed.