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CHEBI:126832 - (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126832
ChEBI Name(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC25H27N3O3
Net Charge0
Average Mass417.509
Monoisotopic Mass417.20524
SMILESCC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1
InChIInChI=1S/C25H27N3O3/c1-17(2)6-5-7-18-9-11-19(12-10-18)24-21-14-27(15-23(30)28(21)22(24)16-29)25(31)20-8-3-4-13-26-20/h3-4,8-13,17,21-22,24,29H,6,14-16H2,1-2H3/t21-,22-,24-/m1/s1
InChIKeyPXGCQOQEEDCUOW-CQOQZXRMSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126832) is a azetidines (CHEBI:38777)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126832) is a benzenes (CHEBI:22712)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126832) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38395LINCS