CHEBI:130066 - (6S,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:130066
Stars This entity has been manually annotated by a third party.
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Formula C23H23N3O3
Net Charge 0
Average Mass 389.448
Monoisotopic Mass 389.17394
InChI InChI=1S/C23H23N3O3/c1-2-21(28)25-13-19-23(20(15-27)26(19)22(29)14-25)18-9-7-16(8-10-18)5-6-17-4-3-11-24-12-17/h3-4,7-12,19-20,23,27H,2,13-15H2,1H3/t19-,20+,23+/m1/s1
InChIKey HIXZTRBEXPKGLV-QTEQDKRBSA-N
SMILES CCC(=O)N1C[C@@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CN=CC=C4
ChEBI Ontology
Outgoing (6S,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130066) is a azetidines (CHEBI:38777)
(6S,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130066) is a benzenes (CHEBI:22712)
(6S,7S,8R)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130066) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41617 LINCS
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