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

1EP

Summary
Name:(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
Formula:C17 H24 N2 O2
Formal charge:0
Formula weight:288.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
OpenEye OEToolkits1.7.6(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-yl-imidazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N(C(=O)NC1C(C)C)Cc2ccc(cc2)C(C)(C)C
InChIInChI1.03InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyInChI1.03CTDZHQXPMZUNNH-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.370CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
SMILESCACTVS3.370CC(C)[CH]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C
SMILESOpenEye OEToolkits1.7.6CC(C)C1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon