| PDB CCD ID: | PN0 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C18 H21 N3 O5 S2 |
| InChI: | InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 |
| InChIKey: | YKPYIPVDTNNYCN-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C | | ACDLabs 12.01 | O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3 | | CACTVS 3.370 | CC1(C)SCCN([C@H]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2 | | OpenEye OEToolkits 1.7.0 | CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C | | CACTVS 3.370 | CC1(C)SCCN([CH]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2 |
|
| Name: | Prinomastat;
(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide |
| ChEMBL: | CHEMBL75094 |
| DrugBank: | DB05100 |
| ZINC: | ZINC000000580328 |
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