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CHEBI:101216 - (2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile
| Formula | C23H22N2O3S |
| Net Charge | 0 |
| Average Mass | 406.507 |
| Monoisotopic Mass | 406.13511 |
| SMILES | Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1C#N |
| InChI | InChI=1S/C23H22N2O3S/c1-16-4-2-3-5-22(16)29(27,28)25-20(14-24)23(21(25)15-26)19-12-10-18(11-13-19)9-8-17-6-7-17/h2-5,10-13,17,20-21,23,26H,6-7,15H2,1H3/t20-,21+,23-/m0/s1 |
| InChIKey | WYRXOKNMJBDANC-XJUOHMSHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101216) is a azetidines (CHEBI:38777) |
| (2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101216) is a benzenes (CHEBI:22712) |
| (2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101216) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12585 | LINCS |