Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : DZY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)
2 InChIKey InChI 1.03 FFPWICPYXBDRHM-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)Cc1nc(sc1C)C
4 SMILES CACTVS 3.370 Cc1sc(C)c(CC(O)=O)n1
5 SMILES OpenEye OEToolkits 1.7.6 Cc1c(nc(s1)C)CC(=O)O
6 Canonical SMILES CACTVS 3.370 Cc1sc(C)c(CC(O)=O)n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(nc(s1)C)CC(=O)O