A1JE3
Summary
| Name: | [(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-(3-fluorophenyl)carbamate |
| Formula: | C13 H15 F N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 282.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-(3-fluorophenyl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15FN2O4/c14-7-2-1-3-8(4-7)16-13(17)20-10-6-19-11-9(15)5-18-12(10)11/h1-4,9-12H,5-6,15H2,(H,16,17)/t9-,10+,11+,12-/m0/s1 |
| InChIKey | InChI | 1.06 | LUQVOMHSYFZMFI-QCNOEVLYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)Nc3cccc(F)c3 |
| SMILES | CACTVS | 3.385 | N[CH]1CO[CH]2[CH](CO[CH]12)OC(=O)Nc3cccc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)NC(=O)OC2COC3C2OCC3N |
