G2U

3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

Created:	2022-01-26
Last modified:	2022-09-28

Find Related PDB Entry
1 entries where G2U is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	10

2D diagram of G2U

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
Formula	C₁₅ H₁₆ N₄ O₃ S
Molecular Weight	332.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C
InChI	InChI	1.06	InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)
InChIKey	InChI	1.06	XGIZTMPAAINKGM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47078173

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.