CHEBI:129199 - (6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8R)-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 ID CHEBI:129199
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)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+/m0/s1
InChIKey JIIQCTZKSPLLJR-SONWIMMPSA-N
SMILES CC(C)NC(=O)N1C[C@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing (6R,7R,8R)-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:129199) is a azetidines (CHEBI:38777)
(6R,7R,8R)-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:129199) is a benzenes (CHEBI:22712)
(6R,7R,8R)-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:129199) is a ring assembly (CHEBI:36820)
Manual Xref Database
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