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文件

A9502

Ala-Ala

Name: Ala-Ala
Brand: SIGMA

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别名:

L-丙氨酰-L-丙氨酸

线性分子式:

CH₃CH(NH₂)CONHCH(CH₃)CO₂H

CAS号:

1948-31-8

分子量:

160.17

Beilstein:

1724813

EC 号:

217-751-7

MDL编号:

MFCD00008075

PubChem化学物质编号:

24891459

NACRES:

NA.26

检测方案

≥98% (TLC)

质量水平

200

形式

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

human ... CA1(759) , CA2(760) , SLC15A1(6564)
rat ... Tpp2(81815)

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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

分析证书(COA)

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T1503

货号

25G

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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)

Theoretical study of the effective Chemical Shielding Anisotropy (CSA) in peptide backbone, rating the impact of CSAs on the cross-correlated relaxations in L-alanyl-L-alanine.

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

L-alanyl-L-alanine conformational changes induced by pH as monitored by the Raman optical activity spectra.

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.

Dependence of the L-alanyl-L-alanine conformation on molecular charge determined from ab initio computations and NMR spectra.

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

Toward canonical ensemble distribution from self-guided Langevin dynamics simulation.

Xiongwu Wu et al.

The Journal of chemical physics, 134(13), 134108-134108 (2011-04-12)

This work derives a quantitative description of the conformational distribution in self-guided Langevin dynamics (SGLD) simulations. SGLD simulations employ guiding forces calculated from local average momentums to enhance low-frequency motion. This enhancement in low-frequency motion dramatically accelerates conformational search efficiency

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