Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

FIL

Summary
Name:(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME
Synonyms:FILAMINAST
Formula:C15 H20 N2 O4
Formal charge:0
Formula weight:292.33 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.5.0[1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.341COc1ccc(cc1OC2CCCC2)C(/C)=N/OC(N)=O
SMILESCACTVS3.341COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC
SMILESOpenEye OEToolkits1.5.0CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC
InChIInChI1.03InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+
InChIKeyInChI1.03STTRYQAGHGJXJJ-LICLKQGHSA-N

218196

PDB entries from 2024-04-10

PDB statisticsPDBj update infoContact PDBjnumon