Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : D0F    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
2 InChIKey InChI 1.03 FYUKGHZWIUVSTO-PMACEKPBSA-N
3 SMILES CACTVS 3.385 OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)CCC3CCCCC3
5 Canonical SMILES CACTVS 3.385 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3