KUU

(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide

Created:	2023-08-14
Last modified:	2023-11-08

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1 entries where KUU 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 KUU

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Chemical Component Summary
Name	(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-(3-chlorophenyl)-3-methyl-~{N}-(4-methylpyridin-3-yl)butanamide
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(c1cccc(Cl)c1)C(C)C
SMILES	CACTVS	3.385	CC(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(C)C
InChI	InChI	1.06	InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKey	InChI	1.06	AIEXTLCJBMNDNF-MRXNPFEDSA-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.