N-benzothiazol-2-yl-2-{N'-[(2R)-cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-N-isopropyl-hydrazino}-acetamide | 720693-57-2

• 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: N-benzothiazol-2-yl-2-{N'-[(2R)-cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-N-isopropyl-hydrazino}-acetamide
• 英文别名: N-(1,3-benzothiazol-2-yl)-2-[[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-propan-2-ylamino]acetamide
• CAS: 720693-57-2
• 化学式: C₂₂H₃₁N₅O₄S
• 分子量: 461.585
• InChiKey: RSJSLDKLNUIKHI-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Antibacterial agents
  申请人：East Peter Stephen

  公开号：US20060172990A1

  公开（公告）日：2006-08-03

  Compounds of formula (I) have antibacterial activity, wherein Q represents —N(OH)CH(═O) or —C(═)NH(OH); Y represents —C(═O)—, —C(═S)—, —S(═O)—, or —SO 2 —; R 1 represents hydrogen, C 1 -C 6 alkyl or C 1 -C 6 alkyl substituted by one or more halogen atoms, or, except when Q is a radical of formula —N(OH)CH(═O), a hydroxy, C 1 -C 6 alkoxy, C 1 -C 6 alkenyloxy, halogen, amino, C 1 -C 6 alkylamino, or di-(C 1 -C 6 alkyl)amino group; R 2 represents a substituted or unsubstituted C 1 -C 6 alkyl, C 1 -C 3 alkyl-O—C 1 -C 3 alkyl, C 1 -C 3 alkyl-C 1 -C 3 alkyl, cycloalkyl(C 1 -C 3 alkyl)-, aryl(C 1 -C 3 alkyl)-, heterocyclyl(C 1 -C 3 alkyl)-, or R 1 R 2 N—C 1 -C 3 alkyl group wherein R 1 represents hydrogen or C 1 -C 3 alkyl and R 2 represents C 1 -C 3 alkyl, or R 1 R 2 N— represents a cyclic amino group; R 3 and R 5 independently represent hydrogen or a substituted or unsubstituted C 1 -C 6 alkyl group or R 3 and R 5 taken together with the carbon and nitrogen atoms to which they are respectively attached form a saturated heterocyclic ring of from 5 to 7 ring atoms, which may be fused to a second carbocyclic or heterocyclic ring, either of which rings may optionally be substituted; R 4 represents hydrogen or a substituted or unsubstituted C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, cycloalkyl, aryl, heterocyclyl, C 1 -C 3 alkyl-O—C 1 -C 3 alkyl, C 1 -C 3 alkyl-S—C 1 -C 3 alkyl, C 1 -C 3 alkyl-NH—(C 1 -C 3 alkyl)-, cycloalkyl(C 1 -C 3 alkyl)-, heterocyclic(C 1 -C 3 alkyl)-group; and A represents a primary, secondary or tertiary amino group or a group —R 6 , —OR 6 , wherein R 6 is a substituted or unsubstituted C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, cycloalkyl, aryl, heterocyclyl, C 1 -C 3 alkyl-O—(C 1 -C 3 alky)-1, C 1 -C 3 alkyl-S—(C 1 -C 3 alkyl)-, C 1 -C 3 alkyl-NH—(C 1 -C 3 alkyl)-, cycloalkyl(C 1 -C 3 alkyl)-, heterocyclic(C 1 -C 3 alky)-1 or aryl(C 1 -C 3 alkyl)-group.