EY7

3-(3-methoxyquinoxalin-2-yl)propanoic acid

Created:	2018-02-12
Last modified:	2018-02-28

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3 entries where EY7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of EY7

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Chemical Component Summary
Name	3-(3-methoxyquinoxalin-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-methoxyquinoxalin-2-yl)propanoic acid
Formula	C₁₂ H₁₂ N₂ O₃
Molecular Weight	232.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)CCc2c(nc1c(cccc1)n2)OC
SMILES	CACTVS	3.385	COc1nc2ccccc2nc1CCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	COc1c(nc2ccccc2n1)CCC(=O)O
Canonical SMILES	CACTVS	3.385	COc1nc2ccccc2nc1CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1c(nc2ccccc2n1)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey	InChI	1.03	CTIQZKAWWUSNIN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1520179
ChEMBL	CHEMBL1416133

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.