2-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,29R,30S,31S)-10-(2-amino-2-oxoethyl)-22-(3-aminopropyl)-7-benzyl-31-hydroxy-4,16-bis(1H-indol-3-ylmethyl)-25-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-30-phenylmethoxy-19-propan-2-yl-32-oxa-3,6,9,12,15,18,21,24,27-nonazabicyclo[27.2.1]dotriacontan-13-yl]acetic acid | 1190201-47-8

• 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-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,29R,30S,31S)-10-(2-amino-2-oxoethyl)-22-(3-aminopropyl)-7-benzyl-31-hydroxy-4,16-bis(1H-indol-3-ylmethyl)-25-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-30-phenylmethoxy-19-propan-2-yl-32-oxa-3,6,9,12,15,18,21,24,27-nonazabicyclo[27.2.1]dotriacontan-13-yl]acetic acid
• CAS: 1190201-47-8
• 化学式: C₆₈H₈₅N₁₃O₁₅
• 分子量: 1324.5
• InChiKey: KPMIRYWEICIUIZ-WFVNCUSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  96
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  439
• 氢给体数：
  15
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以9.73 mg的产率得到2-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,29R,30S,31S)-10-(2-amino-2-oxoethyl)-22-(3-aminopropyl)-7-benzyl-31-hydroxy-4,16-bis(1H-indol-3-ylmethyl)-25-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-30-phenylmethoxy-19-propan-2-yl-32-oxa-3,6,9,12,15,18,21,24,27-nonazabicyclo[27.2.1]dotriacontan-13-yl]acetic acid
  参考文献：
  名称：

  Structural and biological evaluation of some loloatin C analogues

  摘要：

  Loloatin C is a cyclic cationic antimicrobial peptide which is active against Gram positive as well as certain Gram negative bacteria. Unfortunately, it is equally potent against human erythrocytes. To probe the structure-activity relationship of this promising antibiotic peptide, amino acid substitution and/or incorporation of a constraint sugar amino acid dipeptide isoster has been applied. Six new derivatives have been synthesized using SPPS and their solution structure investigated using NMR studies. Finally, the antimicrobial and the hemolytic activities have been determined. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.049