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CHEBI:128423 - 4-[[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester

ChEBI IDCHEBI:128423
ChEBI Name4-[[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC27H27N3O4
Net Charge0
Average Mass457.530
Monoisotopic Mass457.20016
SMILESCOC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(-c5cccnc5)cc4)[C@H]3C2)cc1
InChIInChI=1S/C27H27N3O4/c1-34-27(33)21-6-4-18(5-7-21)14-29-15-23-26(24(17-31)30(23)25(32)16-29)20-10-8-19(9-11-20)22-3-2-12-28-13-22/h2-13,23-24,26,31H,14-17H2,1H3/t23-,24-,26-/m1/s1
InChIKeyUKHLHKFXXKIOBA-DGWZTRNLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester (CHEBI:128423) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-39978LINCS