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

US8

Summary
Name:2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Synonyms:2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Formula:C16 H16 N2 O2 S
Formal charge:0
Formula weight:300.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyInChI1.03XGQYGJKFUOSIIU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
SMILESCACTVS3.385CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon