A1CAY
Summary
| Name: | 2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronic acid |
| Formula: | C10 H16 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 276.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronic acid |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-3,6-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1OC(C(O)C(NC(C)=O)C1NC(C)=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C10H16N2O7/c1-3(13)11-5-6(12-4(2)14)10(18)19-8(7(5)15)9(16)17/h5-8,10,15,18H,1-2H3,(H,11,13)(H,12,14)(H,16,17)/t5-,6+,7+,8+,10-/m1/s1 |
| InChIKey | InChI | 1.06 | SOXOUCOZZYMXPU-XPMMEUEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N[C@@H]1[C@@H]([C@@H](O[C@@H]([C@H]1O)C(=O)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NC1C(C(OC(C1O)C(=O)O)O)NC(=O)C |
