WVM

(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

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

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1 entries where WVM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	2
Bond Count	46
Aromatic Bond Count	6

2D diagram of WVM

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Chemical Component Summary
Name	(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(8~{S})-8-fluoranyl-6-[6-[[(2~{R})-2-oxidanylpropyl]amino]pyrimidin-4-yl]-6-azaspiro[3.4]octane-8-carboxylic acid
Formula	C₁₅ H₂₁ F N₄ O₃
Molecular Weight	324.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3nc(NCC(C)O)cc(N2CC1(CCC1)C(C2)(C(O)=O)F)n3
SMILES	CACTVS	3.385	C[CH](O)CNc1cc(ncn1)N2CC3(CCC3)[C](F)(C2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(CNc1cc(ncn1)N2CC3(CCC3)C(C2)(C(=O)O)F)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)CNc1cc(ncn1)N2CC3(CCC3)[C@](F)(C2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](CNc1cc(ncn1)N2C[C@@](C3(C2)CCC3)(C(=O)O)F)O
InChI	InChI	1.03	InChI=1S/C15H21FN4O3/c1-10(21)6-17-11-5-12(19-9-18-11)20-7-14(3-2-4-14)15(16,8-20)13(22)23/h5,9-10,21H,2-4,6-8H2,1H3,(H,22,23)(H,17,18,19)/t10-,15+/m1/s1
InChIKey	InChI	1.03	VUGBTOAPDMYPIQ-BMIGLBTASA-N

Related Resource References

Resource Name	Reference
PubChem	164513188

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.