Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZAE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
2 InChIKey InChI 1.03 SCIFESDRCALIIM-SECBINFHSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(NC)Cc1ccccc1
4 SMILES CACTVS 3.341 CN[CH](Cc1ccccc1)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 CNC(Cc1ccccc1)C(=O)O
6 Canonical SMILES CACTVS 3.341 CN[C@H](Cc1ccccc1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CN[C@H](Cc1ccccc1)C(=O)O