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CHEBI:127990 - (6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127990
ChEBI Name(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC26H26N2O5
Net Charge0
Average Mass446.503
Monoisotopic Mass446.18417
SMILESCC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H]23)cc1
InChIInChI=1S/C26H26N2O5/c1-16(2)3-4-17-5-7-18(8-6-17)25-20-12-27(13-24(30)28(20)21(25)14-29)26(31)19-9-10-22-23(11-19)33-15-32-22/h5-11,16,20-21,25,29H,12-15H2,1-2H3/t20-,21-,25-/m0/s1
InChIKeyUAWVXLNJAFZMLT-WATLYSKOSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127990) is a azetidines (CHEBI:38777)
(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127990) is a benzenes (CHEBI:22712)
(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127990) is a ring assembly (CHEBI:36820)
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