CHEBI:125911 - (6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:125911
Stars This entity has been manually annotated by a third party.
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Formula C25H28N2O4S
Net Charge 0
Average Mass 452.568
Monoisotopic Mass 452.17698
InChI InChI=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
InChIKey YGJZTJCUYCBWQH-WRALFONMSA-N
SMILES CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4C
ChEBI Ontology
Outgoing (6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125911) is a azetidines (CHEBI:38777)
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125911) is a benzenes (CHEBI:22712)
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125911) is a ring assembly (CHEBI:36820)
Manual Xref Database
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