Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : K0V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
2 InChIKey InChI 1.03 YNDIZCMKDPECRX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O
4 SMILES CACTVS 3.385 COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C
5 SMILES OpenEye OEToolkits 2.0.6 CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC
6 Canonical SMILES CACTVS 3.385 COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC