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

CDX

Summary
Name:(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE
Synonyms:ICRF-187
Formula:C11 H16 N4 O4
Formal charge:0
Formula weight:268.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione
OpenEye OEToolkits1.5.04-[(2R)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2
SMILES_CANONICALCACTVS3.341C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
SMILESCACTVS3.341C[CH](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
SMILESOpenEye OEToolkits1.5.0CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChIInChI1.03InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1
InChIKeyInChI1.03BMKDZUISNHGIBY-SSDOTTSWSA-N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon