EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:98930 - (2S,3R,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
| Formula | C23H29N3O2 |
| Net Charge | 0 |
| Average Mass | 379.504 |
| Monoisotopic Mass | 379.22598 |
| SMILES | CC(C)NC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO |
| InChI | InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22-/m1/s1 |
| InChIKey | FHQNTJUBGIRGFL-BHIFYINESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:98930) is a azetidines (CHEBI:38777) |
| (2S,3R,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:98930) is a benzenes (CHEBI:22712) |
| (2S,3R,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:98930) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10309 | LINCS |