CHEBI:130751 - (6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:130751
Stars This entity has been manually annotated by a third party.
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Formula C24H30N2O4
Net Charge 0
Average Mass 410.507
Monoisotopic Mass 410.22056
InChI InChI=1S/C24H30N2O4/c1-30-13-5-6-17-9-11-18(12-10-17)23-20-14-25(15-22(28)26(20)21(23)16-27)24(29)19-7-3-2-4-8-19/h9-12,19-21,23,27H,2-4,7-8,13-16H2,1H3/t20-,21+,23+/m0/s1
InChIKey KDYLLPKCSGYBGM-QZNHQXDQSA-N
SMILES COCC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4CCCCC4
ChEBI Ontology
Outgoing (6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a azetidines (CHEBI:38777)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a benzenes (CHEBI:22712)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a ring assembly (CHEBI:36820)
Manual Xref Database
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