circulocin β

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: circulocin β
• 英文别名: 2-[(3S,6S,9S,12R,15S,16R)-6-(2-aminoethyl)-12-benzyl-9-[(2R)-butan-2-yl]-15-[19-(diaminomethylideneamino)nonadecanoylamino]-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]acetic acid
• 化学式: C₄₇H₇₉N₉O₉
• 分子量: 914.199
• InChiKey: BASKMSALPGCWIZ-WFBZPOTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  65
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  300
• 氢给体数：
  9
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  circulocin β 在 硫酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 [(3S,6S,9S,12R,15S,16R)-6-(2-Acetylamino-ethyl)-12-benzyl-9-((R)-sec-butyl)-15-(19-guanidino-nonadecanoylamino)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraaza-cyclohexadec-3-yl]-acetic acid methyl ester
  参考文献：
  名称：

  Circulocins, new antibacterial lipopeptides from Bacillus circulans , J2154

  摘要：

  A series of new lipopeptides, circulocins alpha-delta (1-4), was isolated from the fermentation broth of Bacillus circulans, J2154. These compounds exhibited potent antibiotic activity against the Gram-positive bacteria, including the piperacillin-resistant Streptococci and vancomycin-resistant Enterococci. Their structures were established using spectroscopic methods, and the absolute configurations were determined by amino acid analyses. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01135-2

文献信息

• Circulocins, new antibacterial lipopeptides from Bacillus circulans , J2154
  作者：Haiyin He、Bo Shen、Joseph Korshalla、Guy T Carter

  DOI：10.1016/s0040-4020(00)01135-2

  日期：2001.2

  A series of new lipopeptides, circulocins alpha-delta (1-4), was isolated from the fermentation broth of Bacillus circulans, J2154. These compounds exhibited potent antibiotic activity against the Gram-positive bacteria, including the piperacillin-resistant Streptococci and vancomycin-resistant Enterococci. Their structures were established using spectroscopic methods, and the absolute configurations were determined by amino acid analyses. (C) 2001 Elsevier Science Ltd. All rights reserved.