(2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}hexanoic acid

• ChemBase编号: 103064
• 分子式: C19H28N2O6
• 平均质量: 380.43542
• 单一同位素质量: 380.19473663
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O
• Canonical SMILES: O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
• InChIKey: BDHUTRNYBGWPBL-HNNXBMFYSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}hexanoic acid
• IUPAC传统名: (2S)-6-{[(benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]hexanoic acid
• 别名: Boc-Lys(Z)-OH; N-α-t-BOC-N-ε-CBZ-L-LYSINE; Nα-Boc-Nε-Cbz-L-lysine; Nα-Boc-Nε-Z-L-lysine; Nε-Z-Nα-Boc-L-lysine; Boc-Lys(Z)-OH

登记号

• CAS号: 2389-45-9
• EC号: 219-221-0
• MDL号: MFCD00065584
• Beilstein号: 1917222
• PubChem SID: 24892063; 162090184; 24849180
• PubChem CID: 2724765

理论计算性质

• Acid pKa: 3.7663484
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.2093933
• LogD (pH = 7.4): -0.3334177
• Log P: 2.9440963
• 摩尔折射率: 98.3625 cm^3
• 极化性: 38.651093 Å^3
• 极化表面积: 113.96 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (TLC)
• 级别: purum
• Empirical Formula (Hill Notation): C19H28N2O6

详细说明

MP Biomedicals - 02150488

Free Acid

Sigma Aldrich - B8254

Application
Nε-Z-Nα-Boc-L-lysine is an N-terminal protected amino acid used in solid-phase peptide synthesis (SPPS) to make peptides containing Nepsilon protected lysyl side chains.