A9502
Ala-Ala
别名:
L-丙氨酰-L-丙氨酸
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关于此项目
线性分子式:
CH3CH(NH2)CONHCH(CH3)CO2H
化学文摘社编号:
分子量:
160.17
UNSPSC Code:
12352209
NACRES:
NA.26
PubChem Substance ID:
EC Number:
217-751-7
Beilstein/REAXYS Number:
1724813
MDL number:
InChI key
DEFJQIDDEAULHB-IMJSIDKUSA-N
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
SMILES string
C[C@H](N)C(=O)N[C@@H](C)C(O)=O
assay
≥98% (TLC)
form
powder
color
white
mp
280-285 °C (lit.)
Quality Level
Gene Information
human ... CA1(759), CA2(760), SLC15A1(6564)
rat ... Tpp2(81815)
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Application
Ala-Ala 已被用作色谱分析的肽样品。
Biochem/physiol Actions
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。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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
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)
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.
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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