L6R

(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide

Created:	2023-08-15
Last modified:	2023-11-08

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1 entries where L6R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	12

2D diagram of L6R

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Chemical Component Summary
Name	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-(3-chlorophenyl)-~{N}-(4-methylpyridin-3-yl)pentanamide
Formula	C₁₇ H₁₉ Cl N₂ O
Molecular Weight	302.799
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(CCC)c1cccc(Cl)c1
SMILES	CACTVS	3.385	CCC[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C
Canonical SMILES	CACTVS	3.385	CCC[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC[C@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2C
InChI	InChI	1.06	InChI=1S/C17H19ClN2O/c1-3-5-15(13-6-4-7-14(18)10-13)17(21)20-16-11-19-9-8-12(16)2/h4,6-11,15H,3,5H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKey	InChI	1.06	QJMYJFPUHDEEBX-OAHLLOKOSA-N

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.