YG9

(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

Created:	2023-01-28
Last modified:	2023-02-15

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2 entries where YG9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	6

2D diagram of YG9

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Chemical Component Summary
Name	(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5~{R})-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione
Formula	C₁₃ H₁₆ N₂ O₃
Molecular Weight	248.278
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
SMILES	CACTVS	3.385	COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(CC[C@@]2(C)NC(=O)NC2=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
InChI	InChI	1.06	InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1
InChIKey	InChI	1.06	HYRDVXQOZUFAFW-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	722144

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.