CHEBI:130479 - [(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol

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ChEBI Name [(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol
ChEBI ID CHEBI:130479
Stars This entity has been manually annotated by a third party.
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Formula C21H32N2O3S
Net Charge 0
Average Mass 392.557
Monoisotopic Mass 392.21336
InChI InChI=1S/C21H32N2O3S/c1-15(2)22-13-19-21(20(14-24)23(19)27(3,25)26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h7,9-12,15,19-22,24H,4-6,8,13-14H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey KGZAQDPFIJVXCQ-HKBOAZHASA-N
SMILES CC(C)NC[C@@H]1[C@@H]([C@@H](N1S(=O)(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3
ChEBI Ontology
Outgoing [(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol (CHEBI:130479) is a azetidines (CHEBI:38777)
[(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol (CHEBI:130479) is a benzenes (CHEBI:22712)
[(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-methylsulfonyl-4-[(propan-2-ylamino)methyl]-2-azetidinyl]methanol (CHEBI:130479) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42028 LINCS
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