EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H31N3O3 |
| Net Charge | 0 |
| Average Mass | 409.530 |
| Monoisotopic Mass | 409.23654 |
| SMILES | CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 |
| InChI | InChI=1S/C24H31N3O3/c1-16(2)7-8-17-9-11-18(12-10-17)23-20-13-26(14-22(29)27(20)21(23)15-28)24(30)25-19-5-3-4-6-19/h9-12,16,19-21,23,28H,3-6,13-15H2,1-2H3,(H,25,30)/t20-,21+,23-/m0/s1 |
| InChIKey | VNKVSVFDGMBXSL-XJUOHMSHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6R,7S,8S)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129759) is a azetidines (CHEBI:38777) |
| (6R,7S,8S)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129759) is a benzenes (CHEBI:22712) |
| (6R,7S,8S)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129759) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41310 | LINCS |