A9502
Ala-Ala
Sinônimo(s):
L-Alanyl-L-alanine
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About This Item
Fórmula linear:
CH3CH(NH2)CONHCH(CH3)CO2H
Número CAS:
Peso molecular:
160.17
Beilstein:
1724813
Número CE:
Número MDL:
Código UNSPSC:
12352209
ID de substância PubChem:
NACRES:
NA.26
Produtos recomendados
Ensaio
≥98% (TLC)
Nível de qualidade
Formulário
powder
cor
white
pf
280-285 °C (lit.)
cadeia de caracteres SMILES
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
chave InChI
DEFJQIDDEAULHB-IMJSIDKUSA-N
Informações sobre genes
human ... CA1(759) , CA2(760) , SLC15A1(6564)
rat ... Tpp2(81815)
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Categorias relacionadas
Aplicação
Ala-Ala has been used as a peptide sample for chromatographic analysis.
Ações bioquímicas/fisiológicas
L-Alanyl-L-alanine is used as a model dipeptide in physicochemical studies of processes such as the effects of pH (protonation) on conformation.
Código de classe de armazenamento
11 - Combustible Solids
Classe de risco de água (WGK)
WGK 3
Ponto de fulgor (°F)
Not applicable
Ponto de fulgor (°C)
Not applicable
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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
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
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.
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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