4-{2S-[2R-cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionylamino]-3,3-dimethyl-butyryl}-piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester | 681261-38-1

• 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: 4-{2S-[2R-cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionylamino]-3,3-dimethyl-butyryl}-piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester
• 英文别名: 9H-fluoren-9-ylmethyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperazine-1-carboxylate
• CAS: 681261-38-1
• 化学式: C₃₅H₄₆N₄O₆
• 分子量: 618.773
• InChiKey: VHFFQMSUNJYOTQ-OOWIMERYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Antibacterial agents
  申请人：Beckett Paul Raymond

  公开号：US20070129310A1

  公开（公告）日：2007-06-07

  Compounds of formula (II) have antibacterial activity: wherein: Q represents a radical of formula —N(OH)CH(═0) or formula —C(═O)NH(OH); R 1 represents hydrogen, methyl or trifluoromethyl or, except when Q is a radical of formula —N(OH)CH(═0), a hydroxy, halo or amino group; R 2 represents a group R 10 —(D) n —(ALK) m — wherein R 10 represents hydrogen or an optionally substituted C -C 6 alkyl, C 2 -C 6 alkynyl, C 2 -C 6 alkynyl, cycloalkyl, aryl, or heterocyclyl group and ALK represents a straight or branched divalent C -C 6 alkylene, C 2 -C 6 alkynylene, or C 2 -C 6 alkynylene radical, and may be interrupted by one or more non-adjacent —NH—, —O—or -Slinkages, D represents —NH—, —O—or —S—, and m and n are independently 0 or 1; R 4 represents the side chain of a natural or non-natural alpha amino acid; ring A represents an optionally substituted monocyclic heterocyclic ring containing from 5 to 7 ring atoms, one of which is the nitrogen atom shown, the remaining ring atoms being selected from compatible combinations of carbon, oxygen, sulfur and nitrogen; X is oxygen or sulfur; Y is oxygen, sulfur or —NH—; R is 0, 1, 2 or 3; and ring B represents an optionally substituted carbocyclic or heterocyclic ring system.