WVY

[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate

Created:	2020-11-17
Last modified:	2022-07-13

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1 entries where WVY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	11

2D diagram of WVY

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Chemical Component Summary
Name	[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
Systematic Name (OpenEye OEToolkits)	[(3~{S})-2-oxidanylidenepiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)ethanoate
Formula	C₁₇ H₁₉ N₃ O₃
Molecular Weight	313.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3nn(c2ccc(CC(OCC1C(NCCC1)=O)=O)cc2)cc3
SMILES	CACTVS	3.385	O=C(Cc1ccc(cc1)n2cccn2)OC[CH]3CCCNC3=O
SMILES	OpenEye OEToolkits	2.0.7	c1cnn(c1)c2ccc(cc2)CC(=O)OCC3CCCNC3=O
Canonical SMILES	CACTVS	3.385	O=C(Cc1ccc(cc1)n2cccn2)OC[C@@H]3CCCNC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cnn(c1)c2ccc(cc2)CC(=O)OC[C@@H]3CCCNC3=O
InChI	InChI	1.03	InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1
InChIKey	InChI	1.03	BBSKBVDQKLCENN-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	164513189

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.