4GP
Summary
| Name: | N-(carboxycarbonyl)-beta-D-glucopyranosylamine |
| Synonyms: | N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID N-(carboxycarbonyl)-beta-D-glucosylamine; N-(carboxycarbonyl)-D-glucosylamine; N-(carboxycarbonyl)-glucosylamine |
| Formula: | C8 H13 N O8 |
| Formal charge: | 0 |
| Formula weight: | 251.191 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(carboxycarbonyl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 2-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)NC(=O)C(=O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO8/c10-1-2-3(11)4(12)5(13)7(17-2)9-6(14)8(15)16/h2-5,7,10-13H,1H2,(H,9,14)(H,15,16)/t2-,3-,4+,5-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | ZSURXDJFFBVRAT-UHKLXPPTSA-N |
