5P0
Summary
| Name: | (3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
| Formula: | C12 H20 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 272.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | QZEGJTNFYRTELG-PMSMWWAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCO)[C@@H]1NC(=O)/C(NC1=O)=C/[C@@](C)(O)CO |
| SMILES | CACTVS | 3.385 | C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCO)[C@H]1C(=O)N/C(=C\[C@](C)(CO)O)/C(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCO)C1C(=O)NC(=CC(C)(CO)O)C(=O)N1 |
