510
Summary
| Name: | methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate |
| Formula: | C12 H22 N2 O12 S2 |
| Formal charge: | 0 |
| Formula weight: | 450.439 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O12S2/c1-24-11(19)6-2-5(26-28(13,22)23)3-14(6)27(20,21)12-10(18)9(17)8(16)7(4-15)25-12/h5-10,12,15-18H,2-4H2,1H3,(H2,13,22,23)/t5-,6+,7+,8-,9-,10-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | UAWWGJXMKLHLED-ROERLBIISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1C[C@H](CN1[S](=O)(=O)[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)O[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)C1CC(CN1S(=O)(=O)C2C(C(C(C(O2)CO)O)O)O)OS(=O)(=O)N |
