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CHEBI:130952 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130952
ChEBI Name(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC27H27N3O4
Net Charge0
Average Mass457.530
Monoisotopic Mass457.20016
SMILESCOc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Cc5ccccn5)CC(=O)N4[C@H]3CO)cc2)cc1
InChIInChI=1S/C27H27N3O4/c1-34-22-11-9-19(10-12-22)18-5-7-20(8-6-18)27-23-15-29(16-26(33)30(23)24(27)17-31)25(32)14-21-4-2-3-13-28-21/h2-13,23-24,27,31H,14-17H2,1H3/t23-,24+,27-/m1/s1
InChIKeyDFATUARXDJAGGJ-ONBPZOJHSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130952) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-42500LINCS