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

USH

Summary
Name:2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:C14 H19 Cl N2 O3
Formal charge:0
Formula weight:298.765 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyInChI1.03NXCZZJXJRNCFHV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
SMILESCACTVS3.385CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
SMILESOpenEye OEToolkits2.0.7CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon