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

FID

Summary
Name:(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Synonyms:FIDARESTAT
Formula:C12 H10 F N3 O4
Formal charge:0
Formula weight:279.224 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide
OpenEye OEToolkits1.5.0(2S,4S)-6-fluoro-2',5'-dioxo-spiro[chroman-4,4'-imidazolidine]-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
SMILES_CANONICALCACTVS3.341NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c3cc(F)ccc3O1
SMILESCACTVS3.341NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3
InChIInChI1.03InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
InChIKeyInChI1.03WAAPEIZFCHNLKK-UFBFGSQYSA-N

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon