Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : L6C    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
2 InChIKey InChI 1.03 HHWCOMIRIZKFCW-OAHLLOKOSA-N
3 SMILES ACDLabs 12.01 O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
4 SMILES CACTVS 3.385 O=CC[CH](NC(=O)Oc1ccccc1)c2ccccc2
5 SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)C(CC=O)NC(=O)Oc2ccccc2
6 Canonical SMILES CACTVS 3.385 O=CC[C@@H](NC(=O)Oc1ccccc1)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2