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CHEBI:126831 - (2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol

ChEBI IDCHEBI:126831
ChEBI Name(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
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DownloadsMolfile
FormulaC25H36N2O3
Net Charge0
Average Mass412.574
Monoisotopic Mass412.27259
SMILESC[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1
InChIInChI=1S/C25H36N2O3/c1-19(29)4-5-20-6-8-22(9-7-20)25-23-17-26(16-21-10-14-30-15-11-21)12-2-3-13-27(23)24(25)18-28/h6-9,19,21,23-25,28-29H,2-3,10-18H2,1H3/t19-,23-,24+,25-/m0/s1
InChIKeyBFTPGHPTOTYTCQ-IODBPXAYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126831) is a azetidines (CHEBI:38777)
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126831) is a benzenes (CHEBI:22712)
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol (CHEBI:126831) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38394LINCS