cyclohexylmethyl (4S)-5-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-[[(3S)-4-[[(2S)-2-[[(2S)-2-[[6-[[1-[(2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]amino]-6-oxo-hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-5-oxo-pentanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: cyclohexylmethyl (4S)-5-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-[[(3S)-4-[[(2S)-2-[[(2S)-2-[[6-[[1-[(2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]amino]-6-oxo-hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-5-oxo-pentanoate
• 英文别名: cyclohexylmethyl (4S)-4-[[(3S)-4-[[(2S)-2-[[(2S)-2-[[6-[[1-[(2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoate
• 化学式: C76H101N9O14SSi
• 分子量: 1424.8
• InChiKey: OGAWVKPSICFGAQ-JYPYNRRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.83
• 重原子数：
  101
• 可旋转键数：
  39
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  340
• 氢给体数：
  8
• 氢受体数：
  15