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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:127116
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H27FN2O3
Net Charge 0
Average Mass 434.504
Monoisotopic Mass 434.20057
InChI InChI=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
InChIKey VMZNVRZPRJWEKA-OYRHQHFDSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC(=CC=C4)F
ChEBI Ontology
Outgoing (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 Xref Database
LSM-38678 LINCS
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