(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(aS,1R,3aS,6aS,7S,9aS,10S,12aR,13S,16S,17aR,22S,25S,28S,31S,34S,37S,40R,43S,46S,58S,61S,64S,67S,70R,73S,76S,79S,82S,88R,91S,94S,97S)-91-(4-aminobutyl)-28,94,97-tris[(2S)-butan-2-yl]-22,43,61,67-tetrakis(3-carbamimidamidopropyl)-64-(2-carboxyethyl)-17a-[[(2S)-2-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-1,3-dihydroxypropylidene]amino]-1a,4a,7a,8,10a,11,14,17,18a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-hexatriacontahydroxy-9a,13,16,37-tetrakis[(1R)-1-hydroxyethyl]-10,25,34-tris(2-hydroxy-2-iminoethyl)-a,6a,58,76,82-pentakis(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-3a,73-dimethyl-46,79-bis(2-methylpropyl)-2-oxo-14a,15a,21a,22a,25a,26a-hexathia-2a,3,5a,8a,9,11a,12,15,18,19a,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-heptatriacontazatetracyclo[86.31.4.440,70.03,7]heptacosahecta-1a(2a),4a(5a),7a(8a),8,10a(11a),11,14,17,18a(19a),20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-hexatriacontaene-12a-carbonyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-6-aminohexanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(aS,1R,3aS,6aS,7S,9aS,10S,12aR,13S,16S,17aR,22S,25S,28S,31S,34S,37S,40R,43S,46S,58S,61S,64S,67S,70R,73S,76S,79S,82S,88R,91S,94S,97S)-91-(4-aminobutyl)-28,94,97-tris[(2S)-butan-2-yl]-22,43,61,67-tetrakis(3-carbamimidamidopropyl)-64-(2-carboxyethyl)-17a-[[(2S)-2-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-1,3-dihydroxypropylidene]amino]-1a,4a,7a,8,10a,11,14,17,18a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-hexatriacontahydroxy-9a,13,16,37-tetrakis[(1R)-1-hydroxyethyl]-10,25,34-tris(2-hydroxy-2-iminoethyl)-a,6a,58,76,82-pentakis(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-3a,73-dimethyl-46,79-bis(2-methylpropyl)-2-oxo-14a,15a,21a,22a,25a,26a-hexathia-2a,3,5a,8a,9,11a,12,15,18,19a,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-heptatriacontazatetracyclo[86.31.4.440,70.03,7]heptacosahecta-1a(2a),4a(5a),7a(8a),8,10a(11a),11,14,17,18a(19a),20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-hexatriacontaene-12a-carbonyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-6-aminohexanoic acid
• 化学式: C₁₉₇H₃₂₂N₆₄O₆₇S₆
• 分子量: 4851.0
• InChiKey: ZWPXAQXYYQZXSU-ZNZVWFPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -26
• 重原子数：
  334
• 可旋转键数：
  83
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  2290
• 氢给体数：
  77
• 氢受体数：
  81