(4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-37-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxy-4-iminobutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-19,34-bis(4-aminobutyl)-25,28-dibenzyl-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-10,16-bis[(1R)-1-hydroxyethyl]-31-(2-hydroxy-2-iminoethyl)-7-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaene-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-37-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1,3-dihydroxypropylidene]amino]-4-hydroxy-4-iminobutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-19,34-bis(4-aminobutyl)-25,28-dibenzyl-6,9,12,15,18,21,24,27,30,33,36-undecahydroxy-10,16-bis[(1R)-1-hydroxyethyl]-31-(2-hydroxy-2-iminoethyl)-7-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriaconta-5,8,11,14,17,20,23,26,29,32,35-undecaene-4-carboxylic acid
• 化学式: C₁₃₈H₂₀₉N₄₁O₄₀S₂
• 分子量: 3146.5
• InChiKey: DGQBOTVLVQCHKW-GSAZBPDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.6
• 重原子数：
  221
• 可旋转键数：
  75
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  1390
• 氢给体数：
  45
• 氢受体数：
  48