5UQ
Summary
| Name: | (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione |
| Formula: | C12 H22 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 274.313 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | YLDBCWRFRZSTCF-PHGLEFOZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCO)[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC1=O |
| SMILES | CACTVS | 3.385 | C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)C[C@](C)(CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(CO)O |
