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CHEBI:126892 - (6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

ChEBI IDCHEBI:126892
ChEBI Name(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
Stars
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1
InChIInChI=1S/C26H29N3O4/c1-3-13-27-26(32)28-15-22-25(23(17-30)29(22)24(31)16-28)20-11-9-18(10-12-20)7-8-19-5-4-6-21(14-19)33-2/h4-6,9-12,14,22-23,25,30H,3,13,15-17H2,1-2H3,(H,27,32)/t22-,23-,25+/m0/s1
InChIKeyHWTLLAZAXGMWGF-SONWIMMPSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126892) is a azetidines (CHEBI:38777)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126892) is a benzenes (CHEBI:22712)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126892) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38455LINCS