EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C37H48N4O8S2 |
| Net Charge | 0 |
| Average Mass | 740.945 |
| Monoisotopic Mass | 740.29136 |
| SMILES | CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |
| InChI | InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1 |
| InChIKey | XULSCZPZVQIMFM-IPZQJPLYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| odevixibat (CHEBI:757063) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| A-4250 | ChEMBL |
| A4250 | ChEMBL |
| AR-H064974 | ChEMBL |
| AZD-8294 | ChEMBL |
| AZD8294 | ChEMBL |
| Odevixibat | ChEMBL |