(1R,2R,3S,4S)-rel-3-[(1S)-1-(乙酰氨基)-2-乙基丁基]-4-[(氨基亚胺甲基)氨基]-2-羟基-环戊烷羧酸
[CAS# 229614-56-6]

基本信息

• 产品名称: (1R,2R,3S,4S)-rel-3-[(1S)-1-(乙酰氨基)-2-乙基丁基]-4-[(氨基亚胺甲基)氨基]-2-羟基-环戊烷羧酸
• 英文名: (1R,2R,3S,4S)-rel-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-Cyclopentanecarboxylic acid
• 别名: (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethyl-Butyl]-4-Guanidino-2-Hydroxy-Cyclopentane-1-Carboxylic Acid; (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethylbutyl]-4-Guanidino-2-Hydroxy-1-Cyclopentanecarboxylic Acid; (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethyl-Butyl]-4-(Diaminomethylideneamino)-2-Hydroxy-Cyclopentane-1-Carboxylic Acid
• 分子式: C₁₅H₂₈N₄O₄
• 分子量: 328.41
• CAS 登录号: 229614-56-6
• 分子行输入简码 SMILES: [C@H]1([C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O)[C@@H](NC(=O)C)C(CC)CC
• 国际化学标识码 InChI: 1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
• 国际化学标识检索码 InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

物理化学性质

• 密度: 1.4±0.1g/cm³ （计算值）

参考文献

• (1): Ulrike Grienke, Michaela Schmidtke, Susanne von Grafenstein, Johannes Kirchmair, Klaus R. Liedl and Judith M. Rollinger. Influenza neuraminidase: A druggable target for natural products, Nat. Prod. Rep., 2012, 29, 11.