2-[[2-[[2-[[2-[[1-[1-[1-[2-[[1-[1-[1-[2-acetamido-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-lambda4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-(1-ethyl-5-hydroxy-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-lambda4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]amino]acetyl]amino]acetyl]amino]-3-[[2-[3-[6-amino-3-[(2S,4S,5S)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]prop-2-ynylamino]-2-oxoethyl]disulfanyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[2-[[2-[[2-[[1-[1-[1-[2-[[1-[1-[1-[2-acetamido-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-lambda4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-(1-ethyl-5-hydroxy-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-lambda4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]amino]acetyl]amino]acetyl]amino]-3-[[2-[3-[6-amino-3-[(2S,4S,5S)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]prop-2-ynylamino]-2-oxoethyl]disulfanyl]propanoic acid
• 英文别名: 2-[[2-[[2-[[2-[[1-[1-[1-[2-[[1-[1-[1-[2-acetamido-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-λ4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-(1-ethyl-5-hydroxy-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]hexanoylamino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-[6-[2-[5-[1-ethyl-3,3-dimethyl-5-(trihydroxy-λ4-sulfanyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoylamino]hexanoyl]amino]acetyl]amino]acetyl]amino]-3-[[2-[3-[6-amino-3-[(2S,4S,5S)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]prop-2-ynylamino]-2-oxoethyl]disulfanyl]propanoic acid
• 化学式: C170H233N25O44P3S6+3
• 分子量: 3616.0
• InChiKey: JHUNYPZTRADKRO-ANWXWVJLSA-Q

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  248
• 可旋转键数：
  82
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  1040
• 氢给体数：
  26
• 氢受体数：
  51