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

ZYL

Summary
Name:1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Formula:C19 H23 N O5
Formal charge:0
Formula weight:345.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
OpenEye OEToolkits1.7.61-[(3-hexoxyphenyl)methyl]-4-oxidanyl-2-oxidanylidene-pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2
InChIInChI1.03InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
InChIKeyInChI1.03IEFKPWNGVIDYEA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1
SMILESCACTVS3.370CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon