Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : C0D    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1
2 InChIKey InChI 1.03 ZNKPIBQTIYRSDI-LBPRGKRZSA-N
3 SMILES ACDLabs 12.01 CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C
4 SMILES CACTVS 3.385 CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
5 SMILES OpenEye OEToolkits 2.0.6 CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O
6 Canonical SMILES CACTVS 3.385 CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O