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

641

Summary
Name:(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C17 H20 Cl2 N2 O2
Formal charge:0
Formula weight:355.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
OpenEye OEToolkits1.5.0(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxo-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
SMILES_CANONICALCACTVS3.341Clc1cc(Cl)cc(NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2)c1
SMILESCACTVS3.341Clc1cc(Cl)cc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
SMILESOpenEye OEToolkits1.5.0c1c(cc(cc1Cl)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChIInChI1.03InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1
InChIKeyInChI1.03YUFADRZDHJKVOT-NSHDSACASA-N

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon