(2S)-4-carbamoyl-2-decanamidobutanoic acid

• ChemBase编号: 165494
• 分子式: C15H28N2O4
• 平均质量: 300.39382
• 单一同位素质量: 300.20490739
• SMILES: NC(=O)CC[C@H](NC(=O)CCCCCCCCC)C(=O)O
• Canonical SMILES: CCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)N
• InChI: InChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-8-9-14(19)17-12(15(20)21)10-11-13(16)18/h12H,2-11H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/t12-/m0/s1
• InChIKey: MZUBOXLGCNTCGH-LBPRGKRZSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-4-carbamoyl-2-decanamidobutanoic acid
• IUPAC传统名: (2S)-4-carbamoyl-2-decanamidobutanoic acid
• 别名: N2-(1-Oxodecyl)-L-glutamine; N2-Decanoyl-L-glutamine; (2S)-4-carbamoyl-2-decanamidobutanoic acid

登记号

• CAS号: 26060-95-7
• MDL号: MFCD21602684
• PubChem SID: 162259627
• PubChem CID: 54099853

理论计算性质

• Acid pKa: 3.93967
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 0.3250506
• LogD (pH = 7.4): -1.3001
• Log P: 1.8925585
• 摩尔折射率: 79.3876 cm^3
• 极化性: 31.332901 Å^3
• 极化表面积: 109.49 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 129 - 131°C
• 疏水性(logP): 1.826

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - D212600

L-Glutamine derivative used in the preparation of peptides containing arparagine and glutamine residues. N2-Decanoyl-L-glutamine has potential use in cosmetics as a constituent of deodorants. N2-Decanoyl-L-glutamine is also a potential hair growth promote

参考文献

• Miroshnikov, A.I. et al.: Zhur. Obsch.i Khim., 40, 223 (1970)