A9627
Ala-Ala-Ala
≥98% (TLC)
Synonym(s):
Tri-L-alanine
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About This Item
Empirical Formula (Hill Notation):
C9H17N3O4
CAS Number:
Molecular Weight:
231.25
NACRES:
NA.26
PubChem Substance ID:
UNSPSC Code:
12352209
EC Number:
227-538-0
MDL number:
Product Name
Ala-Ala-Ala,
Quality Level
InChI key
BYXHQQCXAJARLQ-ZLUOBGJFSA-N
InChI
1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
SMILES string
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
assay
≥98% (TLC)
form
powder
color
white
storage temp.
−20°C
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Related Categories
Application
Trialanine (Ala-Ala-Ala) may be used along with other short chain alanines, tetra- and penta-alanine, as model compounds to study physicochemical parameters of small peptides.
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Roman D Gorbunov et al.
The Journal of chemical physics, 126(5), 054509-054509 (2007-02-17)
A quantum-classical description of the amide I vibrational spectrum of trialanine cation in D2O is given that combines (i) a classical molecular dynamics simulation of the conformational distribution of the system, (ii) comprehensive density functional theory calculations of the conformation-dependent
Kwang-Im Oh et al.
Chirality, 22 Suppl 1, E186-E201 (2010-11-03)
Despite that a number of experimental and theoretical investigations have been carried out to determine the structure of trialanine in water, the reported populations of polyproline II (PPII) and β-strand conformers vary and were found to be dependent on which
E Rödel et al.
Organic & biomolecular chemistry, 4(3), 475-481 (2006-02-01)
A 20 K high resolution X-ray data set of L-Ala-L-Ala-L-Ala*1/2 H2O was measured using an ultra-low temperature laboratory setup, that combines area detection and a closed cycle helium cryostat. The charge density determination includes integration of atomic basins and topological
Jos Oomens et al.
Journal of the American Society for Mass Spectrometry, 20(2), 334-339 (2008-11-18)
Infrared multiple photon dissociation (IRMPD) spectroscopy is used to identify the structure of the b(2)(+) ion generated from protonated tri-alanine by collision induced dissociation (CID). The IRMPD spectrum of b(2)(+) differs markedly from that of protonated cyclo-alanine-alanine, demonstrating that the
Tetsuo Asakura et al.
Journal of the American Chemical Society, 128(18), 6231-6238 (2006-05-04)
The structural analysis of natural protein fibers with mixed parallel and antiparallel beta-sheet structures by solid-state NMR is reported. To obtain NMR parameters that can characterize these beta-sheet structures, (13)C solid-state NMR experiments were performed on two alanine tripeptide samples:
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