A9502
Ala-Ala
Synonym(s):
L-Alanyl-L-alanine
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About This Item
Linear Formula:
CH3CH(NH2)CONHCH(CH3)CO2H
CAS Number:
Molecular Weight:
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 has been used as a peptide sample for chromatographic analysis.
Biochem/physiol Actions
L-Alanyl-L-alanine is used as a model dipeptide in physicochemical studies of processes such as the effects of pH (protonation) on conformation.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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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
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
Johnny Wu et al.
The Journal of chemical physics, 135(15), 155104-155104 (2011-10-28)
A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of
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