A1JE9
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}-phenylcarbamate |
| Formula: | C13 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 264.277 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}-phenylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O4/c14-9-6-17-12-10(7-18-11(9)12)19-13(16)15-8-4-2-1-3-5-8/h1-5,9-12H,6-7,14H2,(H,15,16)/t9-,10+,11+,12?/m0/s1 |
| InChIKey | InChI | 1.06 | KCHJVZDXMMIWQG-YZTHKRDXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CO[C@H]2[C@H](CO[C@H]12)OC(=O)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | N[CH]1CO[CH]2[CH](CO[CH]12)OC(=O)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OC2COC3C2OCC3N |
