EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H22N2O3S2 |
| Net Charge | 0 |
| Average Mass | 402.541 |
| Monoisotopic Mass | 402.10718 |
| SMILES | CS[C@@]1(Cc2ccccc2)NC(=O)[C@@](Cc2ccccc2O)(SC)NC1=O |
| InChI | InChI=1S/C20H22N2O3S2/c1-26-19(12-14-8-4-3-5-9-14)17(24)22-20(27-2,18(25)21-19)13-15-10-6-7-11-16(15)23/h3-11,23H,12-13H2,1-2H3,(H,21,25)(H,22,24)/t19-,20-/m1/s1 |
| InChIKey | ISTWVTSUKTVELB-WOJBJXKFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Eutypella (ncbitaxon:140192) | - | DOI (10.1039/c7ra05774a) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Eutypellazine J (CHEBI:207295) has functional parent α-amino acid (CHEBI:33704) |
| Eutypellazine J (CHEBI:207295) is a organonitrogen compound (CHEBI:35352) |
| Eutypellazine J (CHEBI:207295) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3R,6R)-3-benzyl-6-[(2-hydroxyphenyl)methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione |
| Manual Xrefs | Databases |
|---|---|
| 62277935 | ChemSpider |