(1S,2R,18R,19R,22S,25R,40R)-22-(2-amino-2-oxoethyl)-18,32,35,37-tetrahydroxy-2-[(4S,5R,6S)-5-hydroxy-4-(1H-imidazol-5-ylmethylamino)-4,6-dimethyloxan-2-yl]oxy-19-[[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic 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: (1S,2R,18R,19R,22S,25R,40R)-22-(2-amino-2-oxoethyl)-18,32,35,37-tetrahydroxy-2-[(4S,5R,6S)-5-hydroxy-4-(1H-imidazol-5-ylmethylamino)-4,6-dimethyloxan-2-yl]oxy-19-[[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl-methylamino]-4-methylpentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
• 化学式: C₇₉H₈₉N₁₁O₂₇
• 分子量: 1624.6
• InChiKey: JVKPXYTZDRVZMQ-JCXIAKJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  117
• 可旋转键数：
  20
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  572
• 氢给体数：
  19
• 氢受体数：
  29

文献信息

• GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES
  申请人：Matsui Kouhei

  公开号：US20100286364A1

  公开（公告）日：2010-11-11

  The present invention provides novel glycopeptides antibiotic derivatives. These glycopeptide antibiotic derivatives are characterized in that a sugar residue (I) represented by the formula: (wherein n is an integer of 1 to 5; Sugs are each independently a monosaccharide, (Sug) n is a divalent sugar residue formed by binding of same or different 1 to 5 monosaccharides; R A1 is optionally substituted lower alkyl, optionally substituted lower alkenyl, or optionally substituted cycloalkyl; and R E is OH or NHAc (Ac is acetyl)) is bound to an aromatic ring of the fourth amino acid residue in the glycopeptide skeleton. These derivatives have antibacterial activity against vancomycin-resistant bacteria.