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

F27

Summary
Name:6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
Synonyms:6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate
Formula:C24 H18 N2 O4
Formal charge:0
Formula weight:398.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.026-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid
OpenEye OEToolkits1.6.16-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4
SMILES_CANONICALCACTVS3.352OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4
SMILESCACTVS3.352OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O
InChIInChI1.03InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
InChIKeyInChI1.03VGYASWDHSIVABN-UHFFFAOYSA-N

227344

數據於2024-11-13公開中

PDB statisticsPDBj update infoContact PDBjnumon