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PDBeChem : Molecule Descriptors
Molecule : KZK
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C23H27N3O4S/c1-30-22-11-10-18(31(28,29)26-12-6-2-3-7-13-26)15-21(22)25-23(27)14-17-16-24-20-9-5-4-8-19(17)20/h4-5,8-11,15-16,24H,2-3,6-7,12-14H2,1H3,(H,25,27) |
2 |
InChIKey
|
InChI |
1.03 |
WUSKETSOXMZDPT-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4 |
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