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CHEBI:99347 - (2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:99347
ChEBI Name(2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile
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FormulaC17H20N2O3S
Net Charge0
Average Mass332.425
Monoisotopic Mass332.11946
SMILESCCCC#Cc1ccc([C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1
InChIInChI=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+/m1/s1
InChIKeyCOUPNDMEVDHIHS-ZACQAIPSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:99347) is a azetidines (CHEBI:38777)
(2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:99347) is a benzenes (CHEBI:22712)
(2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile (CHEBI:99347) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-10726LINCS