EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126710 - (6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:126710
ChEBI Name(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCOc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-17(2)27-26(32)28-14-22-25(23(16-30)29(22)24(31)15-28)20-10-6-18(7-11-20)4-5-19-8-12-21(33-3)13-9-19/h6-13,17,22-23,25,30H,14-16H2,1-3H3,(H,27,32)/t22-,23-,25-/m1/s1
InChIKeyJIIQCTZKSPLLJR-VDKIKQQVSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126710) is a azetidines (CHEBI:38777)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126710) is a benzenes (CHEBI:22712)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126710) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38273LINCS