| PDB CCD ID: | JPQ |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H12 N2 O3 |
| InChI: | InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1 |
| InChIKey: | RSHQAELIOFFTCL-LURJTMIESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C | | OpenEye OEToolkits 2.0.7 | CC(=CC(=O)NC1CC(=O)NC1=O)C | | CACTVS 3.385 | CC(C)=CC(=O)N[CH]1CC(=O)NC1=O | | CACTVS 3.385 | CC(C)=CC(=O)N[C@H]1CC(=O)NC1=O |
|
| Name: | ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide |
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