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CHEBI:100112 - (2S,3S,4S)-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-VSKRKVRLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:100112) is a azetidines (CHEBI:38777) |
| (2S,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:100112) is a benzenes (CHEBI:22712) |
| (2S,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:100112) is a ring assembly (CHEBI:36820) |
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| LSM-11491 | LINCS |