Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GHP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1
2 InChIKey InChI 1.03 LJCWONGJFPCTTL-SSDOTTSWSA-N
3 SMILES ACDLabs 12.01 O=C(O)C(N)c1ccc(O)cc1
4 SMILES CACTVS 3.370 N[CH](C(O)=O)c1ccc(O)cc1
5 SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1C(C(=O)O)N)O
6 Canonical SMILES CACTVS 3.370 N[C@@H](C(O)=O)c1ccc(O)cc1
7 Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1[C@H](C(=O)O)N)O