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Merck
CN

A9502

Sigma-Aldrich

Ala-Ala

别名:

L-丙氨酰-L-丙氨酸

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About This Item

线性分子式:
CH3CH(NH2)CONHCH(CH3)CO2H
CAS号:
分子量:
160.17
Beilstein:
1724813
EC 号:
MDL编号:
UNSPSC代码:
12352209
PubChem化学物质编号:
NACRES:
NA.26

方案

≥98% (TLC)

质量水平

表单

powder

颜色

white

mp

280-285 °C (lit.)

SMILES字符串

C[C@H](N)C(=O)N[C@@H](C)C(O)=O

InChI

1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1

InChI key

DEFJQIDDEAULHB-IMJSIDKUSA-N

基因信息

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应用

Ala-Ala 已被用作色谱分析的肽样品。

生化/生理作用

L-丙氨酰-L-丙氨酸被用作模型二肽,用于 pH(质子化)对构象的影响等过程的理化研究。

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Vladimír Sychrovský et al.
The journal of physical chemistry. B, 112(6), 1796-1805 (2008-01-04)
The l-alanyl-l-alanine (AA) molecule behaves differently in acidic, neutral, and basic environments. Because of its molecular flexibility and strong interaction with the aqueous environment, its behavior has to be deduced from the NMR spectra indirectly, using statistical methods and comparison
Jirí Sebek et al.
The journal of physical chemistry. A, 113(27), 7760-7768 (2009-06-17)
Fine effects of the hydration, charge, and conformational structural changes in L-alanyl-L-alanine (Ala-Ala) dipeptide were studied with the aid of Raman and Raman optical activity (ROA) spectra. The spectra were recorded experimentally and analyzed by means of density functional computations.
Determination of theoretical retention times for peptides analyzed by reversed-phase high-performance liquid chromatography.
Dziuba J, et al.
Acta Scientiarum Polonorum. Technologia Alimentaria, 10(2) (2011)
Ladislav Benda et al.
The journal of physical chemistry. B, 113(15), 5273-5281 (2009-03-24)
The dependence of the effective chemical shielding anisotropy (effective CSA, Deltasigma(eff)) on the phi and psi peptide backbone torsion angles was calculated in the l-alanyl-l-alanine (LALA) peptide using the DFT method. The effects of backbone conformation, molecular charge including the
Yannick G Spill et al.
Journal of computational chemistry, 34(2), 132-140 (2012-09-11)
Replica-exchange is a powerful simulation method for sampling the basins of a rugged energy landscape. The replica-exchange method's sampling is efficient because it allows replicas to perform round trips in temperature space, thereby visiting both low and high temperatures in

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