(2S)-4-carbamoyl-2-(2H23)dodecanamidobutanoic acid

• ChemBase编号: 172246
• 分子式: C17H32N2O4
• 平均质量: 328.44698
• 单一同位素质量: 328.23620751
• SMILES: NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(=O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)N
• InChI: InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23)/t14-/m0/s1
• InChIKey: USMCNVFGYLZLGM-AWEZNQCLSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-4-carbamoyl-2-(^2H₂₃)dodecanamidobutanoic acid
• IUPAC传统名: (2S)-4-carbamoyl-2-(^2H₂₃)dodecanamidobutanoic acid
• 别名: N2-(1-Oxododecyl-d23)-L-glutamine; N2-Lauroyl-L-glutamine-d23

登记号

• PubChem SID: 164228156
• PubChem CID: 71749759

理论计算性质

• Acid pKa: 3.93967
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.2141879
• LogD (pH = 7.4): -0.41096258
• Log P: 2.7816958
• 摩尔折射率: 88.5896 cm^3
• 极化性: 34.999523 Å^3
• 极化表面积: 109.49 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 128-130°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - L178652

Labelled N2-Lauroyl-L-glutamine (L178650). N2-Lauroyl-L-glutamine is used as a solubilizing detergent in a novel protein refolding system. N2-Lauroyl-L-glutamine can be synthesized enzymatically in glycerol-water system useing acylase I from pig kidney.

参考文献

• Kudou, M. et al.: Protein Express. Purif., 75, 46 (2011)
• Wada, E. et al.: J. Am. Oil Chem. Soc., 79, 41 (2011)