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Cyclo (D-Ala-L-Pro)

CAT: 0804-HY-N10185Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N10185Size:5 mg
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Description
Cyclo (D-Ala-L-Pro) is a cyclodipeptide[1].
CAS Number
36238-64-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cyclo-d-ala-l-pro.html
Solubility
10 mM in DMSO
Smiles
O=C1N2[C@](CCC2)([H])C(N[C@@H]1C)=O
Molecular Formula
C8H12N2O2
Molecular Weight
168.19
References & Citations
[1]Yan PS, et al. Cyclo (L-leucyl-L-prolyl) produced by Achromobacter xylosoxidans inhibits aflatoxin production by Aspergillus parasiticus. Appl Environ Microbiol. 2004;70 (12) :7466-7473.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cyclo(-D-Ala-L-Pro)
CAS Number36238-64-9
PubChem CID11902953
IUPAC Name(3R,8aS)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular FormulaC8H12N2O2
Molecular Weight168.19
XLogP-0.2
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity239
SMILES
C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI
InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)/t5-,6+/m1/s1
InChIKey
WSLYCILIEOFQPK-RITPCOANSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(-D-Ala-L-Pro)
CAS: 36238-64-9
CID: 11902953
Formula: C8H12N2O2
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.089877630
Monoisotopic Mass168.089877630
Topological Polar Surface Area49.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity239
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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