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CHEBI:127696 - (6S,7R,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:127696
ChEBI Name(6S,7R,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]3CN(C(=O)c4ccc5c(c4)OCO5)CC(=O)N3[C@H]2CO)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-/m1/s1
InChIKeyUAWVXLNJAFZMLT-TYBLODHISA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,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:127696) is a azetidines (CHEBI:38777)
(6S,7R,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:127696) is a benzenes (CHEBI:22712)
(6S,7R,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:127696) is a ring assembly (CHEBI:36820)
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