Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NMG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
2 InChIKey InChI 1.03 BPMFZUMJYQTVII-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(O)CNC(=[N@H])N
4 SMILES CACTVS 3.341 NC(=N)NCC(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 [H]N=C(N)NCC(=O)O
6 Canonical SMILES CACTVS 3.341 NC(=N)NCC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(/N)\NCC(=O)O