EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H20BrN3O3 |
| Net Charge | 0 |
| Average Mass | 430.302 |
| Monoisotopic Mass | 429.06880 |
| SMILES | O=C(Cc1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 |
| InChI | InChI=1S/C20H20BrN3O3/c21-15-3-1-14(2-4-15)20-16-10-23(11-19(27)24(16)17(20)12-25)18(26)9-13-5-7-22-8-6-13/h1-8,16-17,20,25H,9-12H2/t16-,17+,20+/m0/s1 |
| InChIKey | OJCJNUJOIVBJQI-SQGPQFPESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129346) is a azetidines (CHEBI:38777) |
| (6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129346) is a benzenes (CHEBI:22712) |
| (6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129346) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40897 | LINCS |