3-[[[1-[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[13-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxyethylidene]amino]-6,9,12-trihydroxy-7-(1-hydroxyethyl)-10-methyl-1,2-dithia-5,8,11-triazacyclotetradeca-5,8,11-trien-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-3-methylpentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-4-[1,5-dihydroxy-1-[1-hydroxy-1-[1-hydroxy-1-[2-hydroxy-2-(1-oxopropan-2-ylimino)ethyl]iminopropan-2-yl]imino-3-methylpentan-2-yl]imino-5-iminopentan-2-yl]imino-4-hydroxybutanoic 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: 3-[[[1-[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[13-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxyethylidene]amino]-6,9,12-trihydroxy-7-(1-hydroxyethyl)-10-methyl-1,2-dithia-5,8,11-triazacyclotetradeca-5,8,11-trien-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]acetyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-3-methylpentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-4-[1,5-dihydroxy-1-[1-hydroxy-1-[1-hydroxy-1-[2-hydroxy-2-(1-oxopropan-2-ylimino)ethyl]iminopropan-2-yl]imino-3-methylpentan-2-yl]imino-5-iminopentan-2-yl]imino-4-hydroxybutanoic acid
• 化学式: C₁₃₀H₂₀₈N₃₆O₄₀S₃
• 分子量: 3011.5
• InChiKey: WBXFVRZWEIHVTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  209
• 可旋转键数：
  86
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  1330
• 氢给体数：
  41
• 氢受体数：
  76