CHEBI:129981 - (6R,7S,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:129981
Stars This entity has been manually annotated by a third party.
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Formula C26H29N3O4
Net Charge 0
Average Mass 447.527
Monoisotopic Mass 447.21581
InChI InChI=1S/C26H29N3O4/c1-17(2)8-9-18-10-12-19(13-11-18)25-21-14-28(15-24(31)29(21)22(25)16-30)26(32)27-20-6-4-5-7-23(20)33-3/h4-7,10-13,17,21-22,25,30H,14-16H2,1-3H3,(H,27,32)/t21-,22+,25-/m0/s1
InChIKey HGEDECRDPWELMS-FBLLAGFSSA-N
SMILES CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=CC=CC=C4OC
ChEBI Ontology
Outgoing (6R,7S,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129981) is a azetidines (CHEBI:38777)
(6R,7S,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129981) is a benzenes (CHEBI:22712)
(6R,7S,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:129981) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41532 LINCS
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