A1A5Y

(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid

Created:	2024-09-10
Last modified:	2025-06-11

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1 entries where A1A5Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	53
Aromatic Bond Count	6

2D diagram of A1A5Y

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Chemical Component Summary
Name	(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(8~{R})-6-[(7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)carbonyl]-6-azaspiro[4.5]decane-8-carboxylic acid
Formula	C₂₀ H₂₃ F N₂ O₄
Molecular Weight	374.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1CCc2cc(c(F)cc2N1)C(=O)N1CC(CCC21CCCC2)C(=O)O
SMILES	CACTVS	3.385	OC(=O)[CH]1CCC2(CCCC2)N(C1)C(=O)c3cc4CCC(=O)Nc4cc3F
SMILES	OpenEye OEToolkits	3.1.0.0	c1c2c(cc(c1C(=O)N3CC(CCC34CCCC4)C(=O)O)F)NC(=O)CC2
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCC2(CCCC2)N(C1)C(=O)c3cc4CCC(=O)Nc4cc3F
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1c2c(cc(c1C(=O)N3C[C@@H](CCC34CCCC4)C(=O)O)F)NC(=O)CC2
InChI	InChI	1.06	InChI=1S/C20H23FN2O4/c21-15-10-16-12(3-4-17(24)22-16)9-14(15)18(25)23-11-13(19(26)27)5-8-20(23)6-1-2-7-20/h9-10,13H,1-8,11H2,(H,22,24)(H,26,27)/t13-/m1/s1
InChIKey	InChI	1.06	AFASOUBUNOHZTJ-CYBMUJFWSA-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.