CHEBI:128405 - (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:128405
Stars This entity has been manually annotated by a third party.
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Formula C26H28N2O3
Net Charge 0
Average Mass 416.513
Monoisotopic Mass 416.20999
InChI InChI=1S/C26H28N2O3/c1-18(2)8-9-19-10-12-21(13-11-19)26-22-15-27(16-25(31)28(22)23(26)17-29)24(30)14-20-6-4-3-5-7-20/h3-7,10-13,18,22-23,26,29H,14-17H2,1-2H3/t22-,23-,26-/m1/s1
InChIKey QLTLHCXYXFRUOC-JQYIIUTOSA-N
SMILES CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CC4=CC=CC=C4
ChEBI Ontology
Outgoing (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128405) is a azetidines (CHEBI:38777)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128405) is a benzenes (CHEBI:22712)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128405) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39960 LINCS
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