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A9502

Sigma-Aldrich

Ala-Ala

Sinônimo(s):

L-Alanyl-L-alanine

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About This Item

Fórmula linear:
CH3CH(NH2)CONHCH(CH3)CO2H
Número CAS:
1948-31-8
Peso molecular:
160.17
Beilstein:
1724813
Número CE:
217-751-7
Número MDL:
MFCD00008075
Código UNSPSC:
12352209
ID de substância PubChem:
24891459
NACRES:
NA.26

Ensaio

≥98% (TLC)

forma

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

Certificados de análise (COA)

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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)
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
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
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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