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Pro-Gln-OH

CAT: 0572-TRC-P839998-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P839998-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18668-08-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
Molecular Formula
C10 H17 N3 O4
Molecular Weight
243.26
InChI
InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1
Additionnal Information
IUPAC name: (2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pro-Gln

Pro-Gln is a dipeptide formed from L-proline and L-glutamine residues. It has a role as a metabolite.

CAS Number18668-08-1
PubChem CID7408110
IUPAC Name(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Molecular FormulaC10H17N3O4
Molecular Weight243.26
XLogP-4.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity319
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C10H17N3O4/c11-8(14)4-3-7(10(16)17)13-9(15)6-2-1-5-12-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
SHAQGFGGJSLLHE-BQBZGAKWSA-N
Chemical Structure
2D Structure
2D structure of Pro-Gln
CAS: 18668-08-1
CID: 7408110
Formula: C10H17N3O4
MW: 243.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.26
XLogP3-4.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass243.12190603
Monoisotopic Mass243.12190603
Topological Polar Surface Area122 Ų
Heavy Atom Count17
Formal Charge0
Complexity319
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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