GZB

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Summary

Name:2-benzamidoethanoic acid
Formula:C9 H9 N O3
Formal charge:0
Molecular weight:179.173 Da
Component type:L-peptide NH3 amino terminus

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-benzamidoethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyInChI1.03QIAFMBKCNZACKA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CNC(=O)c1ccccc1
SMILESCACTVS3.385OC(=O)CNC(=O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCC(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)NCC(=O)O
171916
PDB entries from 2020-12-02