| PDB CCD ID: | UKW |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C13 H12 N2 O4 |
| InChI: | InChI=1S/C13H12N2O4/c1-3-9-4-6-10(7-5-9)12(17)14-11(8(2)16)13(18)15-19/h1,4-8,11,16H,2H3,(H,14,17)/t8-,11+/m1/s1 |
| InChIKey: | JJXZDQZGPLQGCP-KCJUWKMLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O | | CACTVS 3.370 | C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C(=O)N=O | | ACDLabs 12.01 | O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C)cc1 | | OpenEye OEToolkits 1.7.0 | CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O | | CACTVS 3.370 | C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C(=O)N=O |
|
| Name: | 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide |
| ZINC: | ZINC000058649341 |
zhanggroup.org