Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0RJ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H8N2O3/c5-3(4(8)9)1-6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
2 InChIKey InChI 1.03 VJGQHMAKHZCYRV-VKHMYHEASA-N
3 SMILES ACDLabs 12.01 O=CNCC(N)C(=O)O
4 SMILES CACTVS 3.370 N[CH](CNC=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)N)NC=O
6 Canonical SMILES CACTVS 3.370 N[C@@H](CNC=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H](C(=O)O)N)NC=O