Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : L0R    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1
2 InChIKey InChI 1.03 CJQMUNJPWNNVDR-OAQYLSRUSA-N
3 SMILES ACDLabs 12.01 O=C(N3C(C(=O)N2Cc1ccccc1CC2)CCCC3)COc4ccccc4
4 SMILES CACTVS 3.370 O=C(COc1ccccc1)N2CCCC[CH]2C(=O)N3CCc4ccccc4C3
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)OCC(=O)N2CCCCC2C(=O)N3CCc4ccccc4C3
6 Canonical SMILES CACTVS 3.370 O=C(COc1ccccc1)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3