CHEBI:126694 - (6R,7S,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:126694
Stars This entity has been manually annotated by a third party.
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Formula C18H21BrN2O3
Net Charge 0
Average Mass 393.275
Monoisotopic Mass 392.07356
InChI InChI=1S/C18H21BrN2O3/c19-13-6-4-11(5-7-13)17-14-8-20(18(24)12-2-1-3-12)9-16(23)21(14)15(17)10-22/h4-7,12,14-15,17,22H,1-3,8-10H2/t14-,15+,17-/m0/s1
InChIKey UUBPIIFPPMSEHX-UXLLHSPISA-N
SMILES C1CC(C1)C(=O)N2C[C@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br
ChEBI Ontology
Outgoing (6R,7S,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126694) is a azetidines (CHEBI:38777)
(6R,7S,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126694) is a benzenes (CHEBI:22712)
(6R,7S,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126694) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38257 LINCS
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