1GB
(3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Find entries where: 1GB
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| Identifiers | (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| Formula | C20 H19 N3 O3 |
| Molecular Weight | 349.383 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O |
| InChI | InChI=1S/C20H19N3O3/c24-14-7-5-12(6-8-14)9-17-19(25)23-18(20(26)22-17)10-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,17-18,21,24H,9-10H2,(H,22,26)(H,23,25)/t17-,18-/m0/s1 |
| InChIKey | ZJDMXAAEAVGGSK-ROUUACIJSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 2 |
| Bond Count | 48 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 7408259 |
| ChEMBL | CHEMBL191476 |
| CCDC/CSD | NIWPUF |
| COD | 2217625 |
