Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NZ2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1
2 InChIKey InChI 1.03 RIWCJTAAIOCFTR-QMMMGPOBSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C
4 SMILES CACTVS 3.370 C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C
6 Canonical SMILES CACTVS 3.370 C[C@H](N(c1ccccc1)[S](C)(=O)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C