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CHEBI:126733 - (6R,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126733
ChEBI Name(6R,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC23H23N3O3
Net Charge0
Average Mass389.455
Monoisotopic Mass389.17394
SMILESCCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1
InChIInChI=1S/C23H23N3O3/c1-2-21(28)25-13-19-23(20(15-27)26(19)22(29)14-25)18-9-7-16(8-10-18)5-6-17-4-3-11-24-12-17/h3-4,7-12,19-20,23,27H,2,13-15H2,1H3/t19-,20-,23-/m0/s1
InChIKeyHIXZTRBEXPKGLV-JTAQYXEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126733) is a azetidines (CHEBI:38777)
(6R,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126733) is a benzenes (CHEBI:22712)
(6R,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126733) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38296LINCS