EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H21BrN2O3 |
| Net Charge | 0 |
| Average Mass | 393.281 |
| Monoisotopic Mass | 392.07355 |
| SMILES | O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO |
| InChI | InChI=1S/C18H21BrN2O3/c19-13-6-4-11(5-7-13)17-14-8-20(18(24)12-2-1-3-12)9-16(23)21(14)15(17)10-22/h4-7,12,14-15,17,22H,1-3,8-10H2/t14-,15+,17-/m1/s1 |
| InChIKey | UUBPIIFPPMSEHX-HLLBOEOZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,7R,8R)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129409) is a azetidines (CHEBI:38777) |
| (6S,7R,8R)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129409) is a benzenes (CHEBI:22712) |
| (6S,7R,8R)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129409) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40960 | LINCS |