CHEBI:129903 - (6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129903
Stars This entity has been manually annotated by a third party.
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Formula C25H26FN3O3
Net Charge 0
Average Mass 435.492
Monoisotopic Mass 435.19582
InChI InChI=1S/C25H26FN3O3/c1-27(2)13-3-4-17-5-7-18(8-6-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)19-9-11-20(26)12-10-19/h5-12,21-22,24,30H,13-16H2,1-2H3/t21-,22+,24+/m0/s1
InChIKey HABPCLIMXOARHP-WMTXJRDZSA-N
SMILES CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC=C(C=C4)F
ChEBI Ontology
Outgoing (6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129903) is a azetidines (CHEBI:38777)
(6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129903) is a benzenes (CHEBI:22712)
(6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129903) is a ring assembly (CHEBI:36820)
Manual Xref Database
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