JQO

(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide

Created:	2022-05-07
Last modified:	2024-09-27

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1 entries where JQO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	2
Bond Count	52
Aromatic Bond Count	6

2D diagram of JQO

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Chemical Component Summary
Name	(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide
Formula	C₁₇ H₂₇ F N₂ O₄ S
Molecular Weight	374.471
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(CO)NC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F
Canonical SMILES	CACTVS	3.385	CC(C)C[C@@H](CO)NC(=O)[C@@H](N[S](=O)(=O)c1ccc(F)cc1)C(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C[C@@H](CO)NC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)F
InChI	InChI	1.06	InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
InChIKey	InChI	1.06	IBRVWKVLICVNRM-HOCLYGCPSA-N

Related Resource References

Resource Name	Reference
PubChem	11728473

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.