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CHEBI:130965 - (6S,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130965
ChEBI Name(6S,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC28H26N2O5
Net Charge0
Average Mass470.525
Monoisotopic Mass470.18417
SMILESCc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccc6c(c5)OCO6)CC(=O)N4[C@H]3CO)cc2)c1
InChIInChI=1S/C28H26N2O5/c1-17-3-2-4-20(11-17)18-5-7-19(8-6-18)27-22-13-29(14-26(32)30(22)23(27)15-31)28(33)21-9-10-24-25(12-21)35-16-34-24/h2-12,22-23,27,31H,13-16H2,1H3/t22-,23+,27+/m1/s1
InChIKeyNFYAYVQEBGGXMC-KHVXQDHOSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130965) is a biphenyls (CHEBI:22888)
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LSM-42513LINCS