|
| Ligand ID | 5WI |
| InChI | InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1 |
| InChIKey | KGPSCQPJVWXIGR-PMSMWWAASA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO | | CACTVS 3.385 | CC[C@H](C)[C@@H]1NC(=O)/C(NC1=O)=C/[C@@](C)(O)CO | | OpenEye OEToolkits 2.0.7 | CCC(C)C1C(=O)NC(=CC(C)(CO)O)C(=O)N1 | | OpenEye OEToolkits 2.0.7 | CC[C@H](C)[C@H]1C(=O)N/C(=C\[C@](C)(CO)O)/C(=O)N1 |
|
| Formula | C12 H20 N2 O4 |
| Name | (3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 7v3e Chain B Residue 403
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
