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

GNR

Summary
Name:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE
Formula:C10 H10 N2 O3 S
Formal charge:0
Formula weight:238.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-hydroxy-2-[(2R)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
OpenEye OEToolkits1.5.0N-hydroxy-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1Nc2c(SC1CC(=O)NO)cccc2
SMILES_CANONICALCACTVS3.341ONC(=O)C[C@H]1Sc2ccccc2NC1=O
SMILESCACTVS3.341ONC(=O)C[CH]1Sc2ccccc2NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)NC(=O)C(S2)CC(=O)NO
InChIInChI1.03InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1
InChIKeyInChI1.03UKDWCJNGBPZOBU-MRVPVSSYSA-N

224931

数据于2024-09-11公开中

PDB statisticsPDBj update infoContact PDBjnumon