| PDB CCD ID: | M8P |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H18 N2 O7 S |
| InChI: | InChI=1S/C19H18N2O7S/c22-8-12-13(23)14(24)15(25)19(28-12)17(27)21-18(29-19)20-16(26)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,22-25H,8H2,(H,20,21,26,27)/t12-,13-,14+,15-,19-/m1/s1 |
| InChIKey: | YJXSIZXIPBKFHB-ULPMNANESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@H]1O[C@@]2(SC(NC2=O)=NC(=O)c3ccc4ccccc4c3)[C@H](O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 1.7.6 | c1ccc2cc(ccc2c1)C(=O)N=C3NC(=O)C4(S3)C(C(C(C(O4)CO)O)O)O | | OpenEye OEToolkits 1.7.6 | c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | | ACDLabs 12.01 | O=C4NC(=N/C(=O)c2cc1ccccc1cc2)/SC43OC(C(O)C(O)C3O)CO | | CACTVS 3.385 | OC[CH]1O[C]2(SC(NC2=O)=NC(=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O |
|
| Name: | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide |
| ChEMBL: | CHEMBL3310895 |
| ZINC: | ZINC000098209159 |
