Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CZ2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
2 InChIKey InChI 1.03 FZFDBYKEUGDOOP-REOHCLBHSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)CS[As](O)O
4 SMILES CACTVS 3.341 N[CH](CS[As](O)O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)S[As](O)O
6 Canonical SMILES CACTVS 3.341 N[C@@H](CS[As](O)O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)S[As](O)O