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CHEBI:177453 - Elagolix
| Formula | C32H30F5N3O5 |
| Net Charge | 0 |
| Average Mass | 631.598 |
| Monoisotopic Mass | 631.21056 |
| SMILES | COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F |
| InChI | InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1 |
| InChIKey | HEAUOKZIVMZVQL-VWLOTQADSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Elagolix (CHEBI:177453) has functional parent γ-amino acid (CHEBI:33707) |
| Elagolix (CHEBI:177453) is a organonitrogen compound (CHEBI:35352) |
| Elagolix (CHEBI:177453) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 4-[[(1R)-2-[5-(2-luoro-3-methoxyphenyl)-3-[[2-luoro-6-(triluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid |