CHEBI:102583 - (2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile

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ChEBI Name (2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:102583
Stars This entity has been manually annotated by a third party.
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Formula C21H26N2O3S
Net Charge 0
Average Mass 386.510
Monoisotopic Mass 386.16641
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-HKBOAZHASA-N
SMILES CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO
ChEBI Ontology
Outgoing (2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102583) is a azetidines (CHEBI:38777)
(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102583) is a benzenes (CHEBI:22712)
(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102583) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13930 LINCS
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