A1INA
Summary
| Name: | ~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.06 | ZCGNIFXXTKDQRT-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](C)NC(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](C)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@H](C)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C)O)NC(=O)C |
