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JTP-4819

CAT: 0013-GTR19209616-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209616-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JTP-4819
CAS Number
162203-65-8
Field of Research
Metabolism Research, Protein Biochemistry
Smiles
C (=O) ([C@H]1N (C (NCC2=CC=CC=C2) =O) CCC1) N3[C@H] (C (CO) =O) CCC3
Molecular Formula
C19H25N3O4
Molecular Weight
359.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jtp-4819

a prolyl endopeptidase inhibitor; structure given in first source

CAS Number162203-65-8
PubChem CID178060
IUPAC Name(2S)-N-benzyl-2-[(2S)-2-(2-hydroxyacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
Molecular FormulaC19H25N3O4
Molecular Weight359.4
XLogP0.7
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity533
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)NCC3=CC=CC=C3)C(=O)CO
InChI
InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1
InChIKey
ICULFJDHZQTNRB-HOTGVXAUSA-N
Chemical Structure
2D Structure
2D structure of Jtp-4819
CAS: 162203-65-8
CID: 178060
Formula: C19H25N3O4
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass359.18450629
Monoisotopic Mass359.18450629
Topological Polar Surface Area90 Ų
Heavy Atom Count26
Formal Charge0
Complexity533
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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