(2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[2-[(2S)-1-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[2-hydroxy-2-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-4-methylsulfanylbutan-2-yl]imino-4-methylpentan-2-yl]imino-3-phenylpropan-2-yl]iminoethyl]imino-3-methylbutan-2-yl]iminopropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[hydroxy-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene]amino]pentanediimidic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-1-[2-[(2S)-1-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[2-hydroxy-2-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-4-methylsulfanylbutan-2-yl]imino-4-methylpentan-2-yl]imino-3-phenylpropan-2-yl]iminoethyl]imino-3-methylbutan-2-yl]iminopropan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-2-[[hydroxy-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene]amino]pentanediimidic acid
• 化学式: C₇₄H₁₁₂N₂₂O₁₈S
• 分子量: 1629.9
• InChiKey: NXZVGUQLNAVPLJ-VKXSZNMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  115
• 可旋转键数：
  51
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  685
• 氢给体数：
  21
• 氢受体数：
  20