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CHEBI:126939 - (6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126939
ChEBI Name(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC25H28N2O4S
Net Charge0
Average Mass452.576
Monoisotopic Mass452.17698
SMILESCCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1
InChIInChI=1S/C25H28N2O4S/c1-3-4-5-9-19-11-13-20(14-12-19)25-21-15-26(16-24(29)27(21)22(25)17-28)32(30,31)23-10-7-6-8-18(23)2/h6-8,10-14,21-22,25,28H,3-4,15-17H2,1-2H3/t21-,22+,25-/m0/s1
InChIKeyYGJZTJCUYCBWQH-FBLLAGFSSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126939) is a azetidines (CHEBI:38777)
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126939) is a benzenes (CHEBI:22712)
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126939) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38502LINCS