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CHEBI:97285 - (2S,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)azetidine-2-carbonitrile
| Formula | C21H26N2O3S |
| Net Charge | 0 |
| Average Mass | 386.517 |
| Monoisotopic Mass | 386.16641 |
| SMILES | CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1CO |
| InChI | InChI=1S/C21H26N2O3S/c1-2-27(25,26)23-19(14-22)21(20(23)15-24)18-12-10-17(11-13-18)9-5-8-16-6-3-4-7-16/h10-13,16,19-21,24H,2-4,6-8,15H2,1H3/t19-,20+,21-/m1/s1 |
| InChIKey | FMUUBOBUXMLTIS-QHAWAJNXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97285) is a azetidines (CHEBI:38777) |
| (2S,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97285) is a benzenes (CHEBI:22712) |
| (2S,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97285) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
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| LSM-8664 | LINCS |