CHEBI:126427 - (8S,9R,10R)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8S,9R,10R)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
ChEBI ID CHEBI:126427
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H31N3O3
Net Charge 0
Average Mass 433.544
Monoisotopic Mass 433.23654
InChI InChI=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+/m0/s1
InChIKey ONYAVZAYLWWDRV-ZZQRAECTSA-N
SMILES C[C@@H](C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)C(=O)NC4=CC=CC=C4)O
ChEBI Ontology
Outgoing (8S,9R,10R)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126427) is a azetidines (CHEBI:38777)
(8S,9R,10R)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126427) is a benzenes (CHEBI:22712)
(8S,9R,10R)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126427) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37992 LINCS
View more database links