EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21Cl3N2O5 |
| Net Charge | 0 |
| Average Mass | 487.767 |
| Monoisotopic Mass | 486.05160 |
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])Oc1c(Cl)c([H])c(N([H])C(=O)N([H])C(=O)c2c([H])c([H])c([H])c([H])c2Cl)c([H])c1Cl |
| InChI | InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30) |
| InChIKey | XQTOWNDCHQJXOQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID (CHEBI:47251) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID | PDBeChem |
| 7-[2,6-dichloro-4-({[(2-chlorophenyl)carbonyl]carbamoyl}amino)phenoxy]heptanoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BN2 | PDBeChem |