N8W
Summary
| Name: | ~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide |
| Formula: | C9 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 230.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O5/c1-4(12)10-5-2-11-6(3-16-9(11)15)8(14)7(5)13/h5-8,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1 |
| InChIKey | InChI | 1.03 | MKTHKMZBVDELIA-OSMVPFSASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1CN2C(COC2=O)C(C1O)O |
