[3-[[2-[2-[2-[[2-[[2-[(2-Acetamido-4-methylpentanoyl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]-4-[[1-[2-[[2-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [3-[[2-[2-[2-[[2-[[2-[(2-Acetamido-4-methylpentanoyl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]-4-[[1-[2-[[2-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
• 英文别名: [3-[[2-[2-[2-[[2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]-4-[[1-[2-[[2-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-(4-hydroxycyclohexa-2,4-dien-1-ylidene)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
• 化学式: C₆₀H₉₃N₁₆O₂₁P
• 分子量: 1405.4
• InChiKey: OGZBPNRBOWNCFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5
• 重原子数：
  98
• 可旋转键数：
  37
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  596
• 氢给体数：
  20
• 氢受体数：
  22