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Cyclo (L-Pro-L-Tyr)

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Description
Maculosin is a secondary metabolite of fungi and bacteria.
CAS Number
4549-02-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
260.29
Molecular Formula
C14H16N2O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Cyclo(L-Pro-L-Tyr)

Maculosin is a homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. It has a role as a metabolite. It is a homodetic cyclic peptide, a member of phenols, a dipeptide and a pyrrolopyrazine. It is functionally related to a L-proline and a L-tyrosine.

CAS Number4549-02-4
PubChem CID119404
IUPAC Name(3S,8aS)-3-[(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
C1C[C@H]2C(=O)N[C@H](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)/t11-,12-/m0/s1
InChIKey
LSGOTAXPWMCUCK-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(L-Pro-L-Tyr)
CAS: 4549-02-4
CID: 119404
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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