| PDB CCD ID: | KE5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H20 N2 O4 |
| InChI: | InChI=1S/C19H20N2O4/c1-11-8-15(23)7-4-13(11)10-17-19(25)20-16(18(24)21-17)9-12-2-5-14(22)6-3-12/h2-8,16-17,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t16-,17-/m0/s1 |
| InChIKey: | OLLRPTQZHVLIEA-IRXDYDNUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O | | OpenEye OEToolkits 2.0.7 | Cc1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O)O | | CACTVS 3.385 | Cc1cc(O)ccc1C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O | | CACTVS 3.385 | Cc1cc(O)ccc1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O |
|
| Name: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione |
| ChEMBL: | CHEMBL4457675 |
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