A1LVG
Summary
| Name: | (3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
| Formula: | C12 H22 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 258.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H22N2O4/c1-7(4-5-15)9-11(17)13-8(10(16)14-9)6-12(2,3)18/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8+,9?/m1/s1 |
| InChIKey | InChI | 1.06 | BJPOUTJDLWKJCE-WGTSGOJVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCO)[C@@H]1NC(=O)[C@H](CC(C)(C)O)NC1=O |
| SMILES | CACTVS | 3.385 | C[CH](CCO)[CH]1NC(=O)[CH](CC(C)(C)O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(C)O |
