(2R)-6-{[(tert-butoxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

• ChemBase编号: 296568
• 分子式: C26H32N2O6
• 平均质量: 468.54208
• 单一同位素质量: 468.22603675
• SMILES: CC(C)(C)OC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: O=C(N[C@@H](C(=O)O)CCCCNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m1/s1
• InChIKey: UMRUUWFGLGNQLI-JOCHJYFZSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-6-{[(tert-butoxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid; (2R)-6-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
• IUPAC传统名: (2R)-6-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
• 别名: N(epsilon)-Boc-N(alpha)-Fmoc-D-赖氨酸; N(epsilon)-(tert-Butoxycarbonyl)-N(alpha)-9-fluorenylmethoxycarbonyl-D-lysine; Fmoc-D-Lys(Boc)-OH; N(epsilon)-Boc-N(alpha)-Fmoc-D-lysine; (R)-6-[(tert-Butoxycarbonyl)aMino]-2-[[[(9H-fluoren-9-yl)Methoxy]carbonyl]aMino]hexanoic acid

登记号

• CAS号: 92122-45-7
• MDL号: MFCD00065660
• PubChem SID: 180682099
• PubChem CID: 13585941

理论计算性质

• Acid pKa: 3.64854
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 2.5570035
• LogD (pH = 7.4): 1.0800352
• Log P: 4.405514
• 摩尔折射率: 126.7623 cm^3
• 极化性: 50.63361 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

理化性质

• 熔点: 135-139°C
• 比旋光度: 11 (c=1 in DMF)

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 98%