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CHEBI:130654 - (6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130654
ChEBI Name(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC23H22N4O3
Net Charge0
Average Mass402.454
Monoisotopic Mass402.16919
SMILESO=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1
InChIInChI=1S/C23H22N4O3/c28-14-20-22(17-7-5-16(6-8-17)4-3-15-1-2-15)19-12-26(13-21(29)27(19)20)23(30)18-11-24-9-10-25-18/h5-11,15,19-20,22,28H,1-2,12-14H2/t19-,20-,22+/m1/s1
InChIKeyVCUIMTGMOAETOU-SJBKTWHCSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130654) is a azetidines (CHEBI:38777)
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130654) is a benzenes (CHEBI:22712)
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130654) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42203LINCS