V6R

(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide

Created:	2022-08-29
Last modified:	2022-11-02

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1 entries where V6R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of V6R

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Chemical Component Summary
Name	(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-~{N}-[(2-fluorophenyl)methyl]-~{N}-methyl-butanamide
Formula	C₁₂ H₁₇ F N₂ O
Molecular Weight	224.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccccc1CN(C)C(=O)C(N)CC
SMILES	CACTVS	3.385	CC[CH](N)C(=O)N(C)Cc1ccccc1F
SMILES	OpenEye OEToolkits	2.0.7	CCC(C(=O)N(C)Cc1ccccc1F)N
Canonical SMILES	CACTVS	3.385	CC[C@H](N)C(=O)N(C)Cc1ccccc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@@H](C(=O)N(C)Cc1ccccc1F)N
InChI	InChI	1.06	InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1
InChIKey	InChI	1.06	XGMLBICNMQKJQY-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	79025218
ChEMBL	CHEMBL4917818

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.