8GP
Summary
| Name: | N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine |
| Synonyms: | N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucosylamine; N-[(cyclopropylamino)(oxo)acetyl]-D-glucosylamine; N-[(cyclopropylamino)(oxo)acetyl]-glucosylamine |
| Formula: | C11 H18 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 290.27 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N'-cyclopropyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(=O)NC2CC2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(=O)NC2CC2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC1NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZDEMZENRHYGLSV-NEBGFLKFSA-N |
