EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:127663 - (6R,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:127663
ChEBI Name(6R,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC25H26FN3O3
Net Charge0
Average Mass435.499
Monoisotopic Mass435.19582
SMILESCCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1
InChIInChI=1S/C25H26FN3O3/c1-2-3-4-6-17-9-11-18(12-10-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)27-20-8-5-7-19(26)13-20/h5,7-13,21-22,24,30H,2-3,14-16H2,1H3,(H,27,32)/t21-,22-,24+/m0/s1
InChIKeyUCBYLLYLADIOJP-WPFOTENUSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127663) is a azetidines (CHEBI:38777)
(6R,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127663) is a benzenes (CHEBI:22712)
(6R,7R,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127663) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39220LINCS