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CHEBI:128954 - (8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:128954
ChEBI Name(8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
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DownloadsMolfile
FormulaC26H31N3O3
Net Charge0
Average Mass433.552
Monoisotopic Mass433.23654
SMILESC[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1
InChIInChI=1S/C26H31N3O3/c1-19(31)9-10-20-11-13-21(14-12-20)25-23-17-28(15-5-6-16-29(23)24(25)18-30)26(32)27-22-7-3-2-4-8-22/h2-4,7-8,11-14,19,23-25,30-31H,5-6,15-18H2,1H3,(H,27,32)/t19-,23-,24+,25-/m1/s1
InChIKeyONYAVZAYLWWDRV-SXPGVMETSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128954) is a azetidines (CHEBI:38777)
(8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128954) is a benzenes (CHEBI:22712)
(8S,9R,10R)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:128954) is a ring assembly (CHEBI:36820)
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