CHEBI:126808 - (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:126808
Stars This entity has been manually annotated by a third party.
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Formula C28H31N3O3
Net Charge 0
Average Mass 457.565
Monoisotopic Mass 457.23654
InChI InChI=1S/C28H31N3O3/c32-19-25-28(22-13-11-21(12-14-22)9-5-8-20-6-1-2-7-20)24-17-30(18-27(34)31(24)25)26(33)16-23-10-3-4-15-29-23/h3-4,10-15,20,24-25,28,32H,1-2,6-8,16-19H2/t24-,25-,28-/m1/s1
InChIKey NAUONXSUQMPPJH-INNMJMHTSA-N
SMILES C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CC=CC=N5
ChEBI Ontology
Outgoing (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126808) is a azetidines (CHEBI:38777)
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126808) is a benzenes (CHEBI:22712)
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126808) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38371 LINCS
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