EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H23ClN2O4 |
| Net Charge | 0 |
| Average Mass | 438.911 |
| Monoisotopic Mass | 438.13463 |
| SMILES | [H]OC(=O)[C@@]([H])(OC([H])([H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c2c(c1[H])c([H])c([H])n2C([H])([H])c1nc(-c2c([H])c([H])c([H])c([H])c2Cl)oc1C([H])([H])[H] |
| InChI | InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1 |
| InChIKey | PAWOPJKHTZCKMT-QFIPXVFZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID (CHEBI:47070) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid | PDBeChem |
| (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 208 | PDBeChem |