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

L7S

Summary
Name:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
Formula:C13 H14 N2 O3
Formal charge:0
Formula weight:246.262 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
OpenEye OEToolkits1.7.63-[(3R)-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC
InChIInChI1.03InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1
InChIKeyInChI1.03XGUUYQHDALENIF-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(N)=O
SMILESCACTVS3.385CCN1C(=O)C[CH](C1=O)c2cccc(c2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N
SMILESOpenEye OEToolkits1.7.6CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N

221716

PDB entries from 2024-06-26

PDB statisticsPDBj update infoContact PDBjnumon