CHEBI:126278 - (6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:126278
Stars This entity has been manually annotated by a third party.
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Formula C21H24N2O4
Net Charge 0
Average Mass 368.427
Monoisotopic Mass 368.17361
InChI InChI=1S/C21H24N2O4/c1-27-13-20(26)22-10-17-21(18(12-24)23(17)19(25)11-22)16-8-6-15(7-9-16)5-4-14-2-3-14/h6-9,14,17-18,21,24H,2-3,10-13H2,1H3/t17-,18+,21-/m0/s1
InChIKey KVDPTJOHHVUPNF-UEXGIBASSA-N
SMILES COCC(=O)N1C[C@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4
ChEBI Ontology
Outgoing (6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126278) is a azetidines (CHEBI:38777)
(6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126278) is a benzenes (CHEBI:22712)
(6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126278) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37844 LINCS
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