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Cyclo (prolyltyrosyl)

CAT: 0804-HY-N12524Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyclo (prolyltyrosyl) is a natural compound that can be found in various microorganisms and marine sponges. Cyclo (prolyltyrosyl) has antibacterial, phytotoxic and cytotoxic properties[1].
CAS Number
5654-84-2
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/cyclo-prolyltyrosyl.html
Solubility
10 mM in DMSO
Smiles
O=C1NC(CC2=CC=C(C=C2)O)C(N3CCCC13)=O
Molecular Formula
C14H16N2O3
Molecular Weight
260.29
References & Citations
[1]Gebhardt, K., et al. Screening for biologically active metabolites with endosymbiotic bacilli isolated from arthropods. FEMS Microbiology Letters, 2002, 217 (2), 199-205.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-((4-Hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione

Cyclo(Tyr-Pro) is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number5654-84-2
PubChem CID371682
IUPAC Name3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular FormulaC14H16N2O3
Molecular Weight260.29
XLogP1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity377
SMILES
C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O
InChI
InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)
InChIKey
LSGOTAXPWMCUCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-Hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CAS: 5654-84-2
CID: 371682
Formula: C14H16N2O3
MW: 260.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.29
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass260.11609238
Monoisotopic Mass260.11609238
Topological Polar Surface Area69.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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