Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1EP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
2 InChIKey InChI 1.03 CTDZHQXPMZUNNH-AWEZNQCLSA-N
3 SMILES ACDLabs 12.01 O=C1N(C(=O)NC1C(C)C)Cc2ccc(cc2)C(C)(C)C
4 SMILES CACTVS 3.370 CC(C)[CH]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
5 SMILES OpenEye OEToolkits 1.7.6 CC(C)C1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C
6 Canonical SMILES CACTVS 3.370 CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)C(C)(C)C)C1=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C