CHEBI:97249 - (2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile

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ChEBI Name (2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile
ChEBI ID CHEBI:97249
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H20N2O3S
Net Charge 0
Average Mass 332.419
Monoisotopic Mass 332.11946
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-/m1/s1
InChIKey COUPNDMEVDHIHS-IXDOHACOSA-N
SMILES CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C)CO
ChEBI Ontology
Outgoing (2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile (CHEBI:97249) is a azetidines (CHEBI:38777)
(2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile (CHEBI:97249) is a benzenes (CHEBI:22712)
(2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile (CHEBI:97249) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-8628 LINCS
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