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

A1CEH

Summary
Name:N-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}benzamide
Formula:C20 H17 N3 O4
Formal charge:0
Formula weight:363.367 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}benzamide
OpenEye OEToolkits3.1.0.0~{N}-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-1-oxidanylidene-3~{H}-isoindol-5-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)NC(=O)c1ccccc1
InChIInChI1.06InChI=1S/C20H17N3O4/c24-17-9-8-16(19(26)22-17)23-11-13-10-14(6-7-15(13)20(23)27)21-18(25)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,21,25)(H,22,24,26)/t16-/m1/s1
InChIKeyInChI1.06CIVWAWPQWLUMPF-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385O=C1CC[C@@H](N2Cc3cc(NC(=O)c4ccccc4)ccc3C2=O)C(=O)N1
SMILESCACTVS3.385O=C1CC[CH](N2Cc3cc(NC(=O)c4ccccc4)ccc3C2=O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)C(=O)Nc2ccc3c(c2)CN(C3=O)[C@@H]4CCC(=O)NC4=O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)C(=O)Nc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O

247536

PDB entries from 2026-01-14

PDB statisticsPDBj update infoContact PDBjnumon