Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZSN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
2 InChIKey InChI 1.03 AYJPQGDWEDBSTK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(N)CN(N)C(=O)O
4 SMILES CACTVS 3.385 NN(CC(N)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.9.2 C(C(=O)N)N(C(=O)O)N
6 Canonical SMILES CACTVS 3.385 NN(CC(N)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 C(C(=O)N)N(C(=O)O)N