Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OLN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1
2 InChIKey InChI 1.03 WMQMIOYQXNRROC-LURJTMIESA-N
3 SMILES ACDLabs 10.04 O=C(O)C(NC(=O)C)CCCNC(=O)N
4 SMILES CACTVS 3.341 CC(=O)N[CH](CCCNC(N)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC(CCCNC(=O)N)C(=O)O
6 Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O