Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0UZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
2 InChIKey InChI 1.03 FLZDFFKRJPLFGS-SSDOTTSWSA-N
3 SMILES ACDLabs 12.01 Clc1cc(ccc1O)C(C(=O)O)N
4 SMILES CACTVS 3.370 N[CH](C(O)=O)c1ccc(O)c(Cl)c1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(C(=O)O)N)Cl)O
6 Canonical SMILES CACTVS 3.370 N[C@@H](C(O)=O)c1ccc(O)c(Cl)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1[C@H](C(=O)O)N)Cl)O