(2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

• ChemBase编号: 152278
• 分子式: C34H42N2O6
• 平均质量: 574.70708
• 单一同位素质量: 574.30428707
• SMILES: CC(C)CC(=C1C(=O)CC(CC1=O)(C)C)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,35H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m0/s1
• InChIKey: PYCBVLUBTMHNPW-MHZLTWQESA-N

名称和登记号

名称

• IUPAC标准名: (2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
• IUPAC传统名: (2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
• 别名: Nα-芴甲氧羰基-Nε-[1-(4,4-二甲基-2,6-二氧代环己基亚甲基)-3-甲基丁基]-L-赖氨酸; Nα-Fmoc-Nε-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine; Fmoc-Lys(Ddiv)-OH

登记号

• CAS号: 204777-78-6
• MDL号: MFCD01631658
• PubChem SID: 24857555; 162246423
• PubChem CID: 11071922

理论计算性质

• Acid pKa: 3.8455226
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): 4.2660418
• LogD (pH = 7.4): 2.6861074
• Log P: 5.9295964
• 摩尔折射率: 162.2152 cm^3
• 极化性: 63.772404 Å^3
• 极化表面积: 121.8 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 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: 2-8°C

产品相关信息

• 纯度: ≥96.0% (HPLC)
• Empirical Formula (Hill Notation): C34H42N2O6

详细说明

Sigma Aldrich - 29207

Other Notes
正交保护性赖氨酸，Ddiv 保护比 Dde 对哌啶（Fmoc 脱保护）更稳定1
包装
1 g in poly bottle