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D-{Ala-Ala-Ala}

CAT: 0804-HY-P4353Size: 1 EachDry Ice: NoHazardous: No
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Description
D-{Ala-Ala-Ala} is a tripeptide. D-{Ala-Ala-Ala} binds to ristocetin to detect bacteria at low concentrations[1].
CAS Number
1114-94-9
UNSPSC
12352209
Target
Bacterial
Type
Peptides
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/d-ala-ala-ala.html
Solubility
10 mM in DMSO
Smiles
OC([C@@H](C)NC([C@@H](C)NC([C@H](N)C)=O)=O)=O
Molecular Formula
C9H17N3O4
Molecular Weight
231.25
References & Citations
[1]Sarakhanikhorami M, Lo RC, Gomez FA. Use of magnetic beads to study the interaction of ristocetin with peptides and bacteria. Bioanalysis. 2009 Jul;1 (4) :721-7.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-D-Ala-D-Ala-D-Ala-OH
CAS Number1114-94-9
PubChem CID6993391
IUPAC Name(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid
Molecular FormulaC9H17N3O4
Molecular Weight231.25
XLogP-4.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity292
SMILES
C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)N
InChI
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-/m1/s1
InChIKey
BYXHQQCXAJARLQ-HSUXUTPPSA-N
Chemical Structure
2D Structure
2D structure of H-D-Ala-D-Ala-D-Ala-OH
CAS: 1114-94-9
CID: 6993391
Formula: C9H17N3O4
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP3-4.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass231.12190603
Monoisotopic Mass231.12190603
Topological Polar Surface Area122 Ų
Heavy Atom Count16
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes