8KI
Summary
| Name: | (1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione |
| Formula: | C12 H20 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 288.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},5~{S},6~{S})-5-methyl-1-[(1~{S},2~{S})-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2O6/c1-6-3-4-20-12(9(17)11(2,19)5-15)10(18)13-7(6)8(16)14-12/h6-7,9,15,17,19H,3-5H2,1-2H3,(H,13,18)(H,14,16)/t6-,7-,9-,11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | BXNDMHSEWSMSNI-USYUNJQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCO[C@@]2(NC(=O)[C@H]1NC2=O)[C@@H](O)[C@@](C)(O)CO |
| SMILES | CACTVS | 3.385 | C[CH]1CCO[C]2(NC(=O)[CH]1NC2=O)[CH](O)[C](C)(O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCO[C@]2(C(=O)N[C@@H]1C(=O)N2)[C@H]([C@](C)(CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCOC2(C(=O)NC1C(=O)N2)C(C(C)(CO)O)O |
