5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(9R,12S,15S,18S,21S,24S,27S,30S)-9-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-27-(2-carboxyethyl)-18-(carboxymethyl)-12,15-bis[(4-hydroxyphenyl)methyl]-21,24-bis(2-methylpropyl)-11,14,17,20,23,26,29-heptaoxo-7,32-dithia-10,13,16,19,22,25,28-heptazatricyclo[32.2.2.22,5]tetraconta-1(37),2(40),3,5(39),34(38),35-hexaen-30-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(9R,12S,15S,18S,21S,24S,27S,30S)-9-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-27-(2-carboxyethyl)-18-(carboxymethyl)-12,15-bis[(4-hydroxyphenyl)methyl]-21,24-bis(2-methylpropyl)-11,14,17,20,23,26,29-heptaoxo-7,32-dithia-10,13,16,19,22,25,28-heptazatricyclo[32.2.2.22,5]tetraconta-1(37),2(40),3,5(39),34(38),35-hexaen-30-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
• 化学式: C₁₁₁H₁₃₀N₁₆O₃₂S₃
• 分子量: 2296.5
• InChiKey: CSLRYKWDWAVBJH-ZFEMBWFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  162
• 可旋转键数：
  42
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  848
• 氢给体数：
  27
• 氢受体数：
  35