ZGE
Summary
| Name: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid |
| Synonyms: | (2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid |
| Formula: | C12 H19 F N4 O7 |
| Formal charge: | 0 |
| Formula weight: | 350.3 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R})-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro- 2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | UCGICVWHWQNCDB-NSNFAWTCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](NC(N)=N)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)F |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](NC(N)=N)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)F)NC(=N)N |
