Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1AL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
2 InChIKey InChI 1.03 NUCLJNSWZCHRKL-UHFFFAOYSA-M
3 SMILES ACDLabs 10.04 O=C(NC(C([O-])=O)NC(=O)N)N
4 SMILES CACTVS 3.341 NC(=O)NC(NC(N)=O)C([O-])=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(=O)[O-])(NC(=O)N)NC(=O)N
6 Canonical SMILES CACTVS 3.341 NC(=O)NC(NC(N)=O)C([O-])=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)[O-])(NC(=O)N)NC(=O)N