A1LYC

(2~{S})-2-(4-chlorophenyl)-3-methyl-~{N}-(1,3-thiazol-2-yl)butanamide

Created:	2024-02-16
Last modified:	2025-04-02

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1 entries where A1LYC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	11

2D diagram of A1LYC

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Chemical Component Summary
Name	(2~{S})-2-(4-chlorophenyl)-3-methyl-~{N}-(1,3-thiazol-2-yl)butanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(4-chlorophenyl)-3-methyl-~{N}-(1,3-thiazol-2-yl)butanamide
Formula	C₁₄ H₁₅ Cl N₂ O S
Molecular Weight	294.8
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)[CH](C(=O)Nc1sccn1)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(c1ccc(cc1)Cl)C(=O)Nc2nccs2
Canonical SMILES	CACTVS	3.385	CC(C)[C@H](C(=O)Nc1sccn1)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)Nc2nccs2
InChI	InChI	1.06	InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKey	InChI	1.06	AZYDQCGCBQYFSE-LBPRGKRZSA-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.