7GP
Summary
| Name: | N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine |
| Synonyms: | ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE N-[ethoxy(oxo)acetyl]-beta-D-glucosylamine; N-[ethoxy(oxo)acetyl]-D-glucosylamine; N-[ethoxy(oxo)acetyl]-glucosylamine |
| Formula: | C10 H17 N O8 |
| Formal charge: | 0 |
| Formula weight: | 279.244 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | ethyl 2-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CCOC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO8/c1-2-18-10(17)8(16)11-9-7(15)6(14)5(13)4(3-12)19-9/h4-7,9,12-15H,2-3H2,1H3,(H,11,16)/t4-,5-,6+,7-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | TVQLSCFCYGZTNJ-XSEHCYKFSA-N |
