Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1A5Y

Summary
Name:(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid
Formula:C20 H23 F N2 O4
Formal charge:0
Formula weight:374.406 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid
OpenEye OEToolkits3.1.0.0(8~{R})-6-[(7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)carbonyl]-6-azaspiro[4.5]decane-8-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1CCc2cc(c(F)cc2N1)C(=O)N1CC(CCC21CCCC2)C(=O)O
InChIInChI1.06InChI=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
InChIKeyInChI1.06AFASOUBUNOHZTJ-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCC2(CCCC2)N(C1)C(=O)c3cc4CCC(=O)Nc4cc3F
SMILESCACTVS3.385OC(=O)[CH]1CCC2(CCCC2)N(C1)C(=O)c3cc4CCC(=O)Nc4cc3F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c2c(cc(c1C(=O)N3C[C@@H](CCC34CCCC4)C(=O)O)F)NC(=O)CC2
SMILESOpenEye OEToolkits3.1.0.0c1c2c(cc(c1C(=O)N3CC(CCC34CCCC4)C(=O)O)F)NC(=O)CC2

257179

PDB entries from 2026-07-29

PDB statisticsPDBj update infoContact PDBjnumon