YQO

(5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

Created:	2023-12-11
Last modified:	2024-04-10

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1 entries where YQO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of YQO

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Chemical Component Summary
Name	(5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Formula	C₁₃ H₁₀ Cl₂ N₂ O₃
Molecular Weight	313.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(c(Cl)c1)C2=NO[C]3(CCC(=O)NC3=O)C2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)C2=NOC3(C2)CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	Clc1ccc(c(Cl)c1)C2=NO[C@@]3(CCC(=O)NC3=O)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Cl)Cl)C2=NO[C@]3(C2)CCC(=O)NC3=O
InChI	InChI	1.06	InChI=1S/C13H10Cl2N2O3/c14-7-1-2-8(9(15)5-7)10-6-13(20-17-10)4-3-11(18)16-12(13)19/h1-2,5H,3-4,6H2,(H,16,18,19)/t13-/m0/s1
InChIKey	InChI	1.06	KFAVXUHSPFYSLI-ZDUSSCGKSA-N

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.