CHEBI:128356 - (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:128356
Stars This entity has been manually annotated by a third party.
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Formula C28H29FN2O3
Net Charge 0
Average Mass 460.541
Monoisotopic Mass 460.21622
InChI InChI=1S/C28H29FN2O3/c29-23-14-12-22(13-15-23)28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-10-8-20(9-11-21)7-3-6-19-4-1-2-5-19/h8-15,19,24-25,27,32H,1-2,4-6,16-18H2/t24-,25+,27-/m1/s1
InChIKey XFRFIHVPRYILDM-CMTIAEDTSA-N
SMILES C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=C(C=C5)F
ChEBI Ontology
Outgoing (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128356) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39911 LINCS
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