Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DCY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
2 InChIKey InChI 1.03 XUJNEKJLAYXESH-UWTATZPHSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)CS
4 SMILES CACTVS 3.341 N[CH](CS)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)S
6 Canonical SMILES CACTVS 3.341 N[C@H](CS)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H](C(=O)O)N)S