CHEBI:129953 - (6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129953
Stars This entity has been manually annotated by a third party.
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Formula C23H22N4O3
Net Charge 0
Average Mass 402.447
Monoisotopic Mass 402.16919
InChI InChI=1S/C23H22N4O3/c28-14-20-22(17-7-5-16(6-8-17)4-3-15-1-2-15)19-12-26(13-21(29)27(19)20)23(30)18-11-24-9-10-25-18/h5-11,15,19-20,22,28H,1-2,12-14H2/t19-,20-,22+/m0/s1
InChIKey VCUIMTGMOAETOU-JAXLGGSGSA-N
SMILES C1CC1C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=NC=CN=C5
ChEBI Ontology
Outgoing (6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129953) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129953) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129953) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41504 LINCS
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