Content-Length: 74423 | pFad | http://rcsb.org/ligand/V3U

RCSB PDB - V3U Ligand Summary Page

V3U

4-bromanyl-1-(2-methoxyethyl)pyridin-2-one

Created:	2023-02-21
Last modified:	2023-03-22

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3 entries where V3U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of V3U

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Chemical Component Summary
Name	4-bromanyl-1-(2-methoxyethyl)pyridin-2-one
Systematic Name (OpenEye OEToolkits)	4-bromanyl-1-(2-methoxyethyl)pyridin-2-one
Formula	C₈ H₁₀ Br N O₂
Molecular Weight	232.074
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCN1C=CC(=CC1=O)Br
SMILES	OpenEye OEToolkits	2.0.7	COCCN1C=CC(=CC1=O)Br
Canonical SMILES	CACTVS	3.385	COCCN1C=CC(=CC1=O)Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	COCCN1C=CC(=CC1=O)Br
InChI	InChI	1.06	InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3
InChIKey	InChI	1.06	DIGIWFMOFFHOCA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124925829

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