Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0SL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1
2 InChIKey InChI 1.03 KTQWWYGLWQVHDM-CQSZACIVSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(c2cc1ccccc1cc2)N3CCCC(C(=O)O)C3
4 SMILES CACTVS 3.370 OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2ccc3ccccc3c2
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC(C3)C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1CCCN(C1)[S](=O)(=O)c2ccc3ccccc3c2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O