W8Z

5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Created:	2013-03-18
Last modified:	2014-03-12

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1 entries where W8Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	11

2D diagram of W8Z

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Chemical Component Summary
Name	5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
Formula	C₁₉ H₁₈ N₂ O₆
Molecular Weight	370.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OCOC
SMILES	CACTVS	3.370	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O
Canonical SMILES	CACTVS	3.370	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C19H18N2O6/c1-26-10-27-15-9-12-5-3-2-4-11(12)8-13(15)6-7-14-16(18(23)24)20-19(25)21-17(14)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,20,21,22,25)
InChIKey	InChI	1.03	UIWLSMYBMFEGSE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73167554
ChEMBL	CHEMBL3991250

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.