(4S,7S)-11-amino-4-[2-[(2S,5S,6S)-5-[2-[[(2S)-2-[[2-[[(2S)-2-[[6-amino-2-[2-[1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]hydrazinyl]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-6-methyl-3,4-dioxo-1-phenyloctan-2-yl]hydrazinyl]-7-[2-[[(2S)-2-[[5-amino-2-[[2-[[4-carboxy-2-[[[(2R,3S,6S)-6-[[(2S,3R)-2-[[2-[[4-carboxy-2-[[(4S)-5-(1H-imidazol-5-yl)-2,2-dimethyl-4-(methylamino)-3-oxopentanoyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-2-hydroxy-4,5-dioxo-7-phenylheptan-3-yl]amino]methylamino]butanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoylamino]-5,6-dioxoundecanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4S,7S)-11-amino-4-[2-[(2S,5S,6S)-5-[2-[[(2S)-2-[[2-[[(2S)-2-[[6-amino-2-[2-[1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]hydrazinyl]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-6-methyl-3,4-dioxo-1-phenyloctan-2-yl]hydrazinyl]-7-[2-[[(2S)-2-[[5-amino-2-[[2-[[4-carboxy-2-[[[(2R,3S,6S)-6-[[(2S,3R)-2-[[2-[[4-carboxy-2-[[(4S)-5-(1H-imidazol-5-yl)-2,2-dimethyl-4-(methylamino)-3-oxopentanoyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-2-hydroxy-4,5-dioxo-7-phenylheptan-3-yl]amino]methylamino]butanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoylamino]-5,6-dioxoundecanoic acid
• 化学式: C₁₂₁H₁₈₆N₃₂O₃₂
• 分子量: 2601.0
• InChiKey: OMVDARIXJYEZPV-BOKKHKTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.7
• 重原子数：
  185
• 可旋转键数：
  93
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  1040
• 氢给体数：
  36
• 氢受体数：
  43

文献信息

• US8828994B2
  申请人：——

  公开号：US8828994B2

  公开（公告）日：2014-09-09