CHEBI:95367 - (2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

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ChEBI Name (2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:95367
Stars This entity has been manually annotated by a third party.
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Formula C22H24N2O3
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.17869
InChI InChI=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-/m1/s1
InChIKey PBPFKUQGSPUXQC-VAMGGRTRSA-N
SMILES C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO)O
ChEBI Ontology
Outgoing (2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95367) is a azetidines (CHEBI:38777)
(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95367) is a benzenes (CHEBI:22712)
(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:95367) is a ring assembly (CHEBI:36820)
Manual Xref Database
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