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Key Documents

A9627

Sigma-Aldrich

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
EC Number:
MDL number:
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.26

Product Name

Ala-Ala-Ala,

Assay

≥98% (TLC)

form

powder

color

white

storage temp.

−20°C

SMILES string

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O

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

InChI key

BYXHQQCXAJARLQ-ZLUOBGJFSA-N

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Amino Acid Sequence

Ala-Ala-Ala

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 Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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An open-shell extension of the pair interaction energy decomposition analysis (PIEDA) within the framework of the fragment molecular orbital (FMO) method is developed. The open-shell PIEDA method allows the analysis of inter- and intramolecular interactions in terms of electrostatic, exchange-repulsion
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Journal of the American Chemical Society, 133(32), 12728-12739 (2011-07-07)
Despite the increasing relevance of characterizing local conformational distributions in the unfolded state, an unambiguous description of the role that solvation and the addition of certain cosolvents play in altering this ensemble has yet to emerge. Alcohol cosolvents, and specifically
Infrared multiple photon dissociation spectroscopy as structural confirmation for GlyGlyGlyH+ and AlaAlaAlaH+ in the gas phase. Evidence for amide oxygen as the protonation site.
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Journal of the American Chemical Society, 129(37), 11312-11313 (2007-08-28)
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

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