CHEBI:126845 - (6R,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:126845
Stars This entity has been manually annotated by a third party.
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Formula C24H31N3O4
Net Charge 0
Average Mass 425.522
Monoisotopic Mass 425.23146
InChI InChI=1S/C24H31N3O4/c1-2-3-4-5-18-6-8-19(9-7-18)24-20-14-26(16-23(30)27(20)21(24)17-28)22(29)15-25-10-12-31-13-11-25/h6-9,20-21,24,28H,2-3,10-17H2,1H3/t20-,21+,24+/m0/s1
InChIKey MEZRSQVRRGLIAD-YZUZCNPQSA-N
SMILES CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CN4CCOCC4
ChEBI Ontology
Outgoing (6R,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126845) is a azetidines (CHEBI:38777)
(6R,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126845) is a benzenes (CHEBI:22712)
(6R,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126845) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38408 LINCS
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