CHEBI:125998 - (6R,7S,8R)-N-cyclopentyl-8-(hydroxymethyl)-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,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:125998
Stars This entity has been manually annotated by a third party.
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Formula C24H31N3O3
Net Charge 0
Average Mass 409.522
Monoisotopic Mass 409.23654
InChI InChI=1S/C24H31N3O3/c1-16(2)7-8-17-9-11-18(12-10-17)23-20-13-26(14-22(29)27(20)21(23)15-28)24(30)25-19-5-3-4-6-19/h9-12,16,19-21,23,28H,3-6,13-15H2,1-2H3,(H,25,30)/t20-,21-,23-/m0/s1
InChIKey VNKVSVFDGMBXSL-FUDKSRODSA-N
SMILES CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4CCCC4
ChEBI Ontology
Outgoing (6R,7S,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125998) is a azetidines (CHEBI:38777)
(6R,7S,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125998) is a benzenes (CHEBI:22712)
(6R,7S,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125998) is a ring assembly (CHEBI:36820)
Manual Xref Database
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