Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0NK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H23N3O3/c1-6-10(7-2)19-16-11-8-12(20-3)14(21-4)15(22-5)13(11)17-9-18-16/h8-10H,6-7H2,1-5H3,(H,17,18,19)
2 InChIKey InChI 1.03 TVJPHOZGPOLRKC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2c1c(cc(OC)c(OC)c1OC)c(nc2)NC(CC)CC
4 SMILES CACTVS 3.370 CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12
5 SMILES OpenEye OEToolkits 1.7.6 CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC
6 Canonical SMILES CACTVS 3.370 CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC