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

ZU9

Summary
Name:3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
Formula:C20 H19 N3 O4
Formal charge:0
Formula weight:365.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
OpenEye OEToolkits2.0.73-[4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]quinazolin-2-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc1ccccc1
InChIInChI1.06InChI=1S/C20H19N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-23-17(10-11-19(25)26)22-16-9-5-4-8-15(16)20(23)27/h1-9H,10-13H2,(H,21,24)(H,25,26)
InChIKeyInChI1.06QZFFZTYIGSWGJT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc3ccccc3
SMILESCACTVS3.385OC(=O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC(=O)O

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon