Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZTO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1
2 InChIKey InChI 1.06 PMXAOPMAOYNZJP-HXUWFJFHSA-N
3 SMILES ACDLabs 12.01 COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
4 SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3C(=O)Nc4ccc(F)cc34)c2
5 SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4NC3=O)F
6 Canonical SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(=O)Nc4ccc(F)cc34)c2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3=O)F