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L-Alanyl-L-Alanine

CAT: 1299-RM-A010900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A010900-01Size:10 mg
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CAS Number
1948-31-8
Synonyms
H-Ala-Ala-OH; Ala-Ala-OH; (S) -2- ((S) -2-aminopropanamido) propanoic acid
Molecular Formula
C6H12N2O3
Molecular Weight
160.17
Target Alternative Name
Glutamine
Product Name Synonym
H-Ala-Ala-OH; Ala-Ala-OH; (S) -2- ((S) -2-aminopropanamido) propanoic acid

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...
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