NM6
Summary
| Name: | 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose |
| Synonyms: | (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide N-acetyl-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-beta-D-glucosamine; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucose; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucose; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucose |
| Formula: | C11 H20 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 292.286 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O7/c1-4(10(12)17)19-9-7(13-5(2)15)11(18)20-6(3-14)8(9)16/h4,6-9,11,14,16,18H,3H2,1-2H3,(H2,12,17)(H,13,15)/t4-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | MLHXTMGNPGMLSD-YVNCZSHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)N)OC1C(C(OC(C1O)CO)O)NC(=O)C |
