Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0UD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21)
2 InChIKey InChI 1.03 ABOWUZLWUNTBAJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC
4 SMILES CACTVS 3.385 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
5 SMILES OpenEye OEToolkits 2.0.7 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
6 Canonical SMILES CACTVS 3.385 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
7 Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C