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CHEBI:126963 - (6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126963
ChEBI Name(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC28H30N2O4
Net Charge0
Average Mass458.558
Monoisotopic Mass458.22056
SMILESO=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO
InChIInChI=1S/C28H30N2O4/c31-19-25-27(22-11-9-21(10-12-22)8-4-7-20-5-2-1-3-6-20)24-17-29(18-26(32)30(24)25)28(33)23-13-15-34-16-14-23/h1-3,5-6,9-12,23-25,27,31H,7,13-19H2/t24-,25+,27+/m1/s1
InChIKeyOTPKLDQQMJMGEP-OBDYRVMHSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126963) is a aromatic compound (CHEBI:33655)
Manual XrefsDatabases
LSM-38526LINCS