M8P
Summary
| 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 |
| Formula: | C19 H18 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 418.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 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 |
| OpenEye OEToolkits | 1.7.6 | (NZ)-N-[(6R,7R,8S,9S,10R)-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-4-oxidanylidene-6-oxa-1-thia-3-azaspiro[4.5]decan-2-ylidene]naphthalene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C4NC(=N/C(=O)c2cc1ccccc1cc2)/SC43OC(C(O)C(O)C3O)CO |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | YJXSIZXIPBKFHB-ULPMNANESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@]2(SC(NC2=O)=NC(=O)c3ccc4ccccc4c3)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C]2(SC(NC2=O)=NC(=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | 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 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)C(=O)N=C3NC(=O)C4(S3)C(C(C(C(O4)CO)O)O)O |
