1G9
(3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione
Find entries where: 1G9
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione |
| Identifiers | (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-methyl-piperazine-2,5-dione |
| Formula | C12 H14 N2 O3 |
| Molecular Weight | 234.251 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O |
| InChI | InChI=1S/C12H14N2O3/c1-7-11(16)14-10(12(17)13-7)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6H2,1H3,(H,13,17)(H,14,16)/t7-,10-/m0/s1 |
| InChIKey | MFUNIDMQFPXVGU-XVKPBYJWSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 31 |
| Chiral Atom Count | 2 |
| Bond Count | 32 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 12072107 |
| CCDC/CSD | GUTQOD01, HUVKEQ01 |
| COD | 4516482 |
