2-[2-[2-[2-[[15-Hydroxy-14-(1-hydroxyethyl)-31-methyl-38-methylidene-12,22,29,36,39,41-hexaoxo-17-propyl-19,43-dioxa-9,26,33-trithia-4,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2,4,6,8(49),10,16,18(48),20,25(47),27,32(46),34,42(45)-tetradecaene-5-carbonyl]amino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[2-[2-[2-[[15-Hydroxy-14-(1-hydroxyethyl)-31-methyl-38-methylidene-12,22,29,36,39,41-hexaoxo-17-propyl-19,43-dioxa-9,26,33-trithia-4,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2,4,6,8(49),10,16,18(48),20,25(47),27,32(46),34,42(45)-tetradecaene-5-carbonyl]amino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoic acid
• 英文别名: 2-[2-[2-[2-[[15-hydroxy-14-(1-hydroxyethyl)-31-methyl-38-methylidene-12,22,29,36,39,41-hexaoxo-17-propyl-19,43-dioxa-9,26,33-trithia-4,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2,4,6,8(49),10,16,18(48),20,25(47),27,32(46),34,42(45)-tetradecaene-5-carbonyl]amino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoic acid
• 化学式: C₅₂H₄₈N₁₆O₁₆S₃
• 分子量: 1249.2
• InChiKey: AXSZVWKPKFYOMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  87
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  557
• 氢给体数：
  12
• 氢受体数：
  26