4-[[1-[[1-[[1-[[5-[Acetyl(hydroxy)amino]-1-oxo-1-[(2-oxooxolan-3-yl)amino]pentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-[[3-carboxy-2-[(5-hydroxy-4,11-dioxo-1,10,12-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-2,5,7,9(16)-tetraene-15-carbonyl)amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxybutanoyl]amino]acetyl]amino]-2-hydroxy-4-oxobutanoic acid

• 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: 4-[[1-[[1-[[1-[[5-[Acetyl(hydroxy)amino]-1-oxo-1-[(2-oxooxolan-3-yl)amino]pentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-[[3-carboxy-2-[(5-hydroxy-4,11-dioxo-1,10,12-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-2,5,7,9(16)-tetraene-15-carbonyl)amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxybutanoyl]amino]acetyl]amino]-2-hydroxy-4-oxobutanoic acid
• 英文别名: 4-[[1-[[1-[[1-[[5-[acetyl(hydroxy)amino]-1-oxo-1-[(2-oxooxolan-3-yl)amino]pentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-[[3-carboxy-2-[(5-hydroxy-4,11-dioxo-1,10,12-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-2,5,7,9(16)-tetraene-15-carbonyl)amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxybutanoyl]amino]acetyl]amino]-2-hydroxy-4-oxobutanoic acid
• 化学式: C₅₅H₇₆N₁₆O₂₇
• 分子量: 1393.3
• InChiKey: WGOVZMUSMHDYFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.7
• 重原子数：
  98
• 可旋转键数：
  38
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  662
• 氢给体数：
  22
• 氢受体数：
  28