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CHEBI:127116 - (6S,7S,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127116
ChEBI Name(6S,7S,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC26H27FN2O3
Net Charge0
Average Mass434.511
Monoisotopic Mass434.20057
SMILESCC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1
InChIInChI=1S/C26H27FN2O3/c1-17(2)5-3-6-18-9-11-19(12-10-18)25-22-14-28(15-24(31)29(22)23(25)16-30)26(32)20-7-4-8-21(27)13-20/h4,7-13,17,22-23,25,30H,5,14-16H2,1-2H3/t22-,23-,25+/m1/s1
InChIKeyVMZNVRZPRJWEKA-OYRHQHFDSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127116) is a azetidines (CHEBI:38777)
(6S,7S,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127116) is a benzenes (CHEBI:22712)
(6S,7S,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127116) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38678LINCS