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CHEBI:95376 - (2R,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
| Formula | C26H21N3O3 |
| Net Charge | 0 |
| Average Mass | 423.472 |
| Monoisotopic Mass | 423.15829 |
| SMILES | COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)c4ccccn4)[C@H]3C#N)cc2)c1 |
| InChI | InChI=1S/C26H21N3O3/c1-32-21-6-4-5-19(15-21)9-8-18-10-12-20(13-11-18)25-23(16-27)29(24(25)17-30)26(31)22-7-2-3-14-28-22/h2-7,10-15,23-25,30H,17H2,1H3/t23-,24+,25+/m0/s1 |
| InChIKey | RQNIZPLHIPGYGU-ISJGIBHGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:95376) is a azetidines (CHEBI:38777) |
| (2R,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:95376) is a benzenes (CHEBI:22712) |
| (2R,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:95376) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6755 | LINCS |