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CHEBI:101872 - (2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile
| Formula | C17H20N2O3S |
| Net Charge | 0 |
| Average Mass | 332.425 |
| Monoisotopic Mass | 332.11946 |
| SMILES | CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2C#N)cc1 |
| InChI | InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16+,17-/m0/s1 |
| InChIKey | COUPNDMEVDHIHS-BBWFWOEESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:101872) is a azetidines (CHEBI:38777) |
| (2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:101872) is a benzenes (CHEBI:22712) |
| (2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:101872) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13233 | LINCS |