2-[(1R,7S,10S,13S,16S,19S,25R,37R,40S,43S,46S,49S,52S,55S)-55-(2-amino-2-oxoethyl)-25-[(2-amino-2-oxoethyl)carbamoyl]-37-[[(2S)-2-aminopropanoyl]amino]-49-benzyl-46,52-bis[3-(diaminomethylideneamino)propyl]-13,19,43-tris(hydroxymethyl)-10-(1H-indol-3-ylmethyl)-16-(2-methylsulfanylethyl)-2,8,11,14,17,20,23,38,41,44,47,50,53,56-tetradecaoxo-27,35,59-trithia-3,9,12,15,18,21,24,39,42,45,48,51,54,57-tetradecazatetracyclo[29.26.3.129,33.03,7]henhexaconta-29,31,33(61)-trien-40-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[(1R,7S,10S,13S,16S,19S,25R,37R,40S,43S,46S,49S,52S,55S)-55-(2-amino-2-oxoethyl)-25-[(2-amino-2-oxoethyl)carbamoyl]-37-[[(2S)-2-aminopropanoyl]amino]-49-benzyl-46,52-bis[3-(diaminomethylideneamino)propyl]-13,19,43-tris(hydroxymethyl)-10-(1H-indol-3-ylmethyl)-16-(2-methylsulfanylethyl)-2,8,11,14,17,20,23,38,41,44,47,50,53,56-tetradecaoxo-27,35,59-trithia-3,9,12,15,18,21,24,39,42,45,48,51,54,57-tetradecazatetracyclo[29.26.3.129,33.03,7]henhexaconta-29,31,33(61)-trien-40-yl]acetic acid
• 化学式: C₈₄H₁₂₀N₂₆O₂₃S₄
• 分子量: 1990.3
• InChiKey: KNJXXDLWQHWAJJ-BPIRHOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.1
• 重原子数：
  137
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  913
• 氢给体数：
  27
• 氢受体数：
  30