Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GIZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3
2 InChIKey InChI 1.06 USUFEOMHJBVZED-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC
4 SMILES OpenEye OEToolkits 2.0.7 CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(CC4)CC)C)C(=O)C
5 Canonical SMILES CACTVS 3.385 CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(CC4)CC)C)C(=O)C