CHEBI:130035 - (6S,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6S,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:130035
Stars This entity has been manually annotated by a third party.
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Formula C26H25FN2O3
Net Charge 0
Average Mass 432.488
Monoisotopic Mass 432.18492
InChI InChI=1S/C26H25FN2O3/c27-21-3-1-2-18(12-21)5-4-17-8-10-20(11-9-17)26-22-14-28(24(31)13-19-6-7-19)15-25(32)29(22)23(26)16-30/h1-3,8-12,19,22-23,26,30H,6-7,13-16H2/t22-,23-,26+/m1/s1
InChIKey KVYFFHXHDYUNDP-PLXFJCCSSA-N
SMILES C1CC1CC(=O)N2C[C@@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CC5=CC(=CC=C5)F
ChEBI Ontology
Outgoing (6S,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130035) is a azetidines (CHEBI:38777)
(6S,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130035) is a benzenes (CHEBI:22712)
(6S,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130035) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41586 LINCS
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