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CHEBI:98570 - (2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
| Formula | C21H23N3OS |
| Net Charge | 0 |
| Average Mass | 365.502 |
| Monoisotopic Mass | 365.15618 |
| SMILES | CCc1cnc(N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C#N)s1 |
| InChI | InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19+,20-/m0/s1 |
| InChIKey | DBBLKINRPPNEJI-ZCNNSNEGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98570) is a azetidines (CHEBI:38777) |
| (2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98570) is a benzenes (CHEBI:22712) |
| (2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile (CHEBI:98570) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9949 | LINCS |