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H-Ala-Ala-OH

CAT: 0931-TP2898-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2898-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1948-31-8
Target
Amino Acids and Derivatives, Others
Related Pathways
Metabolism, Others
Purity
0.9841
Bioactivity
H-Ala-Ala-OH (L-Alanyl-L-alanine) is a dipeptide compound that can be absorbed by Caco-2 cells and induce cytoplasmic acidification, serving as a model for studying peptide conformational changes.
Smiles
[C@@H](NC([C@H](C)N)=O)(C(O)=O)C
Molecular Formula
C6H12N2O3
Molecular Weight
160.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Alanyl-L-alanine

L-alanyl-L-alanine is a dipeptide consisting of two L-alanine units joined by a peptide linkage. It has a role as a Mycoplasma genitalium metabolite. It is functionally related to a L-alanine. It is a tautomer of an Ala-Ala zwitterion.

CAS Number1948-31-8
PubChem CID5484352
IUPAC Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
Molecular FormulaC6H12N2O3
Molecular Weight160.17
XLogP-3.3
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity169
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)N
InChI
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
InChIKey
DEFJQIDDEAULHB-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of L-Alanyl-L-alanine
CAS: 1948-31-8
CID: 5484352
Formula: C6H12N2O3
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP3-3.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass160.08479225
Monoisotopic Mass160.08479225
Topological Polar Surface Area92.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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4000024.1000H-Ala-Ala-Ala-Ala-OH
4007939.0250H-Ala-Ala-Ala-Ala-Ala-OH
M40507Ala-Ala|H-Ala-Ala-OH
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