CHEBI:129514 - (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-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-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129514
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O3
Net Charge 0
Average Mass 368.470
Monoisotopic Mass 368.20999
InChI InChI=1S/C22H28N2O3/c1-4-20(26)23-12-18-22(19(14-25)24(18)21(27)13-23)17-10-8-16(9-11-17)7-5-6-15(2)3/h8-11,15,18-19,22,25H,4,6,12-14H2,1-3H3/t18-,19-,22-/m1/s1
InChIKey JEIGSWUEAJXIOX-WOIUINJBSA-N
SMILES CCC(=O)N1C[C@@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C
ChEBI Ontology
Outgoing (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129514) is a azetidines (CHEBI:38777)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129514) is a benzenes (CHEBI:22712)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129514) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41065 LINCS
View more database links