[(2S,3R)-4-[[(2S)-1-[[(2S)-1-amino-3-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S,3S)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutan-2-yl] (3S)-3-methylpentanoate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [(2S,3R)-4-[[(2S)-1-[[(2S)-1-amino-3-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S,3S)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutan-2-yl] (3S)-3-methylpentanoate
• 化学式: C₅₈H₉₇N₁₅O₁₅
• 分子量: 1244.5
• InChiKey: LMGKAQPWTBNBRM-FIVWLXSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  88
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  477
• 氢给体数：
  16
• 氢受体数：
  17

文献信息

• [EN] NOVEL DEPSIPEPTIDE AND USES THEREOF<br/>[FR] NOUVEAU DEPSIPEPTIDE ET SES UTILISATIONS
  申请人：NOVOBIOTIC PHARMACEUTICALS LLC

  公开号：WO2014089053A1

  公开（公告）日：2014-06-12

  The present invention relates generally to novel depsipeptides, to methods for the preparation of these novel depsipeptides, to pharmaceutical compositions comprising the novel depsipeptides; and to methods of using the novel depsipeptides to treat or inhibit various disorders.