Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : Q6M    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3
2 InChIKey InChI 1.03 VZPARMKCSXRGQB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C(NCCCCCC(C)(O)O)CCN
4 SMILES CACTVS 3.385 CC(O)(O)CCCCCNCCCN
5 SMILES OpenEye OEToolkits 2.0.7 CC(CCCCCNCCCN)(O)O
6 Canonical SMILES CACTVS 3.385 CC(O)(O)CCCCCNCCCN
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(CCCCCNCCCN)(O)O