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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Fatma Eker et al.
Journal of the American Chemical Society, 125(27), 8178-8185 (2003-07-03)
Determination of the precise solution structure of peptides is of utmost importance to the understanding of protein folding and peptide drugs. Herein, we have measured the UV circular dichroism (UVCD) spectra of tri-alanine dissolved in D(2)O, H(2)O, and glycerol. The
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
Fabrizio Marinelli et al.
PLoS computational biology, 5(8), e1000452-e1000452 (2009-08-08)
Trp-cage is a designed 20-residue polypeptide that, in spite of its size, shares several features with larger globular proteins.Although the system has been intensively investigated experimentally and theoretically, its folding mechanism is not yet fully understood. Indeed, some experiments suggest
Reinhard Schweitzer-Stenner
The journal of physical chemistry. B, 113(9), 2922-2932 (2009-02-27)
The conformational preference of individual amino acid residues in the unfolded state of peptides and proteins is the subject of a continuous debate. Research has mostly been focused on alanine, owing to its abundance in proteins and its relevance for
Wenfei Li et al.
The Journal of chemical physics, 130(21), 214108-214108 (2009-06-11)
Biomolecular systems are inherently hierarchic and many simulation methods that try to integrate atomistic and coarse-grained (CG) models have been proposed, which are called multiscale simulations. Here, we propose a new multiscale molecular dynamics simulation method which can achieve high
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