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Pyr-Gln-OH

CAT: 0024-sc-296146Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-296146Size:250 mg
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CAS Number
109481-23-4

Chemical Information

5-oxo-L-prolyl-L-glutamine

Pyroglutamylglutamine is a dpeptide obtained by formal condensation of the carboxy group of L-pyroglutamine with the amino group of L-glutamine. It has a role as a human metabolite. It is a conjugate acid of a pyroglutamylglutaminate.

CAS Number109481-23-4
PubChem CID11010621
IUPAC Name(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
Molecular FormulaC10H15N3O5
Molecular Weight257.24
XLogP-2.2
Topological Polar Surface Area139
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity382
SMILES
C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/t5-,6-/m0/s1
InChIKey
ILAITOFTZJRIFJ-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of 5-oxo-L-prolyl-L-glutamine
CAS: 109481-23-4
CID: 11010621
Formula: C10H15N3O5
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-2.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass257.10117059
Monoisotopic Mass257.10117059
Topological Polar Surface Area139 Ų
Heavy Atom Count18
Formal Charge0
Complexity382
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