A1JET
Summary
| Name: | methyl 2-[(1~{S})-1-(oxan-4-ylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate |
| Formula: | C12 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(1~{S})-1-(oxan-4-ylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O5/c1-17-12(16)10-7-19-11(14-10)9(6-15)13-8-2-4-18-5-3-8/h7-9,13,15H,2-6H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | NTVUKUUZNZRSKG-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1coc(n1)[C@H](CO)NC2CCOCC2 |
| SMILES | CACTVS | 3.385 | COC(=O)c1coc(n1)[CH](CO)NC2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1coc(n1)[C@H](CO)NC2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1coc(n1)C(CO)NC2CCOCC2 |
