EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129758 - (6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:129758
ChEBI Name(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC25H33N3O3
Net Charge0
Average Mass423.557
Monoisotopic Mass423.25219
SMILESCCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C25H33N3O3/c1-2-14-26-25(31)27-15-21-24(22(17-29)28(21)23(30)16-27)20-12-10-19(11-13-20)9-5-8-18-6-3-4-7-18/h10-13,18,21-22,24,29H,2-4,6-8,14-17H2,1H3,(H,26,31)/t21-,22-,24-/m0/s1
InChIKeyJRGGKERBHXAIAP-FIXSFTCYSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129758) is a azetidines (CHEBI:38777)
(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129758) is a benzenes (CHEBI:22712)
(6R,7S,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129758) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-41309LINCS