A1LVE
Summary
| Name: | (3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
| Formula: | C12 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S})-3-(2-methylpropyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H22N2O3/c1-7(2)6-9-11(16)14-10(12(17)13-9)8(3)4-5-15/h7-10,15H,4-6H2,1-3H3,(H,13,17)(H,14,16) |
| InChIKey | InChI | 1.06 | PBPDVGRYZDBSCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1NC(=O)[C@@H](NC1=O)[C@@H](C)CCO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C(=O)NC(C(=O)N1)C(C)CCO |
