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CHEBI:202562 - Pestalazine B
| Formula | C37H38N6O4 |
| Net Charge | 0 |
| Average Mass | 630.749 |
| Monoisotopic Mass | 630.29545 |
| SMILES | CC(C)C[C@H]1NC(=O)[C@H](Cc2cn([C@]34C[C@H]5C(=O)N[C@H](Cc6ccccc6)C(=O)N5[C@H]3Nc3ccccc34)c3ccccc23)NC1=O |
| InChI | InChI=1S/C37H38N6O4/c1-21(2)16-27-32(44)39-28(33(45)38-27)18-23-20-42(30-15-9-6-12-24(23)30)37-19-31-34(46)40-29(17-22-10-4-3-5-11-22)35(47)43(31)36(37)41-26-14-8-7-13-25(26)37/h3-15,20-21,27-29,31,36,41H,16-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)/t27-,28+,29-,31+,36-,37+/m1/s1 |
| InChIKey | XGDLDPOMNWGMAL-OHSSISEWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudopestalotiopsis theae (ncbitaxon:218556) | - | PubMed (18855443) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pestalazine B (CHEBI:202562) is a pyrroloindole (CHEBI:48133) |
| IUPAC Name |
|---|
| (1R,4R,7S,9S)-4-benzyl-9-[3-[[(2S,5R)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]methyl]indol-1-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 78436889 | ChemSpider |