JOK

~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide

Created:	2019-03-14
Last modified:	2019-08-07

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1 entries where JOK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of JOK

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Chemical Component Summary
Name	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
Formula	C₁₃ H₁₄ N₂ O₃
Molecular Weight	246.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCC(=O)NC2CC(=O)NC2=O
Canonical SMILES	CACTVS	3.385	O=C(CCc1ccccc1)N[C@H]2CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O
InChI	InChI	1.03	InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1
InChIKey	InChI	1.03	VPQQSXIHDPBURE-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	138857409

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.