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CHEBI:100267 - (2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:100267
ChEBI Name(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
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FormulaC22H24N2O3
Net Charge0
Average Mass364.445
Monoisotopic Mass364.17869
SMILESN#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C22H24N2O3/c23-13-18-20(19(14-25)24(18)21(26)17-7-8-17)16-5-3-15(4-6-16)9-12-22(27)10-1-2-11-22/h3-6,17-20,25,27H,1-2,7-8,10-11,14H2/t18-,19-,20+/m0/s1
InChIKeyPBPFKUQGSPUXQC-SLFFLAALSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100267) is a azetidines (CHEBI:38777)
(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100267) is a benzenes (CHEBI:22712)
(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:100267) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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