EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H31N3O4 |
| Net Charge | 0 |
| Average Mass | 461.562 |
| Monoisotopic Mass | 461.23146 |
| SMILES | COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C5=CCCCC5)cc4)[C@@H]3C2)c1 |
| InChI | InChI=1S/C27H31N3O4/c1-34-22-9-5-8-21(14-22)28-27(33)29-15-23-26(24(17-31)30(23)25(32)16-29)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h5-6,8-14,23-24,26,31H,2-4,7,15-17H2,1H3,(H,28,33)/t23-,24-,26+/m0/s1 |
| InChIKey | ACZHHJQQIHGUIJ-KYPHJKQUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a azetidines (CHEBI:38777) |
| (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a benzenes (CHEBI:22712) |
| (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38886 | LINCS |