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

WPQ

Summary
Name:2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:C14 H15 N O5 S
Formal charge:0
Formula weight:309.338 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
OpenEye OEToolkits2.0.72-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O
InChIInChI1.06InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyInChI1.06RJIGDIKBHOJJOS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O
SMILESCACTVS3.385CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon