JIT
Summary
| Name: | beta-D-manno-configured cyclophellitol aziridine |
| Formula: | C7 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 175.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6+,7-/m0/s1 |
| InChIKey | InChI | 1.06 | GPIFFOGPRPKRHS-IVZITJRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H]2N[C@H]12 |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]1[C@@H]2[C@@H](N2)[C@H]([C@H]([C@@H]1O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C2C(N2)C(C(C1O)O)O)O |
