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

J51

Summary
Name:benzyl acetylcarbamate
Formula:C10 H11 N O3
Formal charge:0
Formula weight:193.199 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01benzyl acetylcarbamate
OpenEye OEToolkits2.0.6(phenylmethyl) ~{N}-ethanoylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(OCc1ccccc1)=O)C(C)=O
InChIInChI1.03InChI=1S/C10H11NO3/c1-8(12)11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyInChI1.03IMSURJCYZMGADJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NC(=O)OCc1ccccc1
SMILESCACTVS3.385CC(=O)NC(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)NC(=O)OCc1ccccc1
SMILESOpenEye OEToolkits2.0.6CC(=O)NC(=O)OCc1ccccc1

222624

数据于2024-07-17公开中

PDB statisticsPDBj update infoContact PDBjnumon