M7C
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]benzamide |
| Formula: | C15 H16 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 368.362 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]benzamide |
| 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]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3NC(=N/C(=O)c1ccccc1)/SC32OC(C(O)C(O)C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O7S/c18-6-8-9(19)10(20)11(21)15(24-8)13(23)17-14(25-15)16-12(22)7-4-2-1-3-5-7/h1-5,8-11,18-21H,6H2,(H,16,17,22,23)/t8-,9-,10+,11-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | FROKMWINLHSJAI-XKJBLICVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@]2(SC(NC2=O)=NC(=O)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C]2(SC(NC2=O)=NC(=O)c3ccccc3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)N=C2NC(=O)C3(S2)C(C(C(C(O3)CO)O)O)O |
