Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SCK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
2 InChIKey InChI 1.03 AXOIZCJOOAYSMI-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
4 SMILES CACTVS 3.341 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
5 SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
6 Canonical SMILES CACTVS 3.341 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C