L4U

(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide

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

Find Related PDB Entry
1 entries where L4U is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	6

2D diagram of L4U

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide
Systematic Name (OpenEye OEToolkits)	(3~{S})-3,4-dimethyl-~{N}-(4-methylpyridin-3-yl)pentanamide
Formula	C₁₃ H₂₀ N₂ O
Molecular Weight	220.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)CC(C)C(C)C
SMILES	CACTVS	3.385	CC(C)[CH](C)CC(=O)Nc1cnccc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)CC(C)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)[C@@H](C)CC(=O)Nc1cnccc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C[C@H](C)C(C)C
InChI	InChI	1.06	InChI=1S/C13H20N2O/c1-9(2)11(4)7-13(16)15-12-8-14-6-5-10(12)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKey	InChI	1.06	PPQIRWKGFHIKDH-NSHDSACASA-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.