AZC
Summary
| Name: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine |
| Synonyms: | N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA N-(acetylcarbamoyl)-beta-D-glucosylamine; N-(acetylcarbamoyl)-D-glucosylamine; N-(acetylcarbamoyl)-glucosylamine |
| Formula: | C9 H16 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 264.233 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]ethanamide |
| PDB-CARE | 1.0 | N-acetyl-N'-b-D-glucopyranosyl urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)NC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(=O)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | UQKBNLXZEGBQAF-JAJWTYFOSA-N |
