4-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[hydroxy-[1-[2-[[hydroxy-(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino]acetyl]pyrrolidin-2-yl]methylidene]amino]-3-(1H-indol-3-yl)propylidene]amino]-4-methylpentylidene]amino]butylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-5-[1-[1-[2-[1-[1-[3-carboxy-1-hydroxy-1-(1-hydroxy-1-imino-3-phenylpropan-2-yl)iminopropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 4-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-2-[[4-carboxy-1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[hydroxy-[1-[2-[[hydroxy-(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino]acetyl]pyrrolidin-2-yl]methylidene]amino]-3-(1H-indol-3-yl)propylidene]amino]-4-methylpentylidene]amino]butylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-1-hydroxybutylidene]amino]-5-[1-[1-[2-[1-[1-[3-carboxy-1-hydroxy-1-(1-hydroxy-1-imino-3-phenylpropan-2-yl)iminopropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid
• 化学式: C₉₇H₁₂₄N₂₀O₃₁S
• 分子量: 2098.2
• InChiKey: GKDWRERMBNGKCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  149
• 可旋转键数：
  62
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  830
• 氢给体数：
  26
• 氢受体数：
  32

文献信息

• MINI-CANCERS UTILIZATION FOR PERSONALIZED CANCER DRUG REGIMENS
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20210333265A1

  公开（公告）日：2021-10-28

  The present invention includes methods for identifying chemotherapy treatments specifically suited for each cancer patient using mini-cancers to develop personalized cancer drug regimes.