2-[17-[(3-chloro-4-hydroxyphenyl)methyl]-3-[[2-[[2-[3-(1,4-dimethyl-6,10,16-trioxo-7,9,17-trioxa-12-aza-1,4-diazoniatricyclo[6.6.3.24,12]nonadecan-5-yl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-8-[[1-[[1-[[1-[[4-[[3-[7-ethyl-10-(2-methoxy-2-oxoethyl)-1,3,10-trimethyl-5,15-dioxo-6,16-dioxa-13-aza-3,10-diazoniatricyclo[11.3.1.03,7]heptadecan-4-yl]propanoylamino]methyl]phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic 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-[17-[(3-chloro-4-hydroxyphenyl)methyl]-3-[[2-[[2-[3-(1,4-dimethyl-6,10,16-trioxo-7,9,17-trioxa-12-aza-1,4-diazoniatricyclo[6.6.3.24,12]nonadecan-5-yl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-8-[[1-[[1-[[1-[[4-[[3-[7-ethyl-10-(2-methoxy-2-oxoethyl)-1,3,10-trimethyl-5,15-dioxo-6,16-dioxa-13-aza-3,10-diazoniatricyclo[11.3.1.03,7]heptadecan-4-yl]propanoylamino]methyl]phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid
• 化学式: C112H160ClN23O29S2+4
• 分子量: 2392.2
• InChiKey: VKDVTNMFDWYPES-UHFFFAOYSA-R

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  167
• 可旋转键数：
  42
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  720
• 氢给体数：
  17
• 氢受体数：
  35