CHEBI:126330 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:126330
Stars This entity has been manually annotated by a third party.
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Formula C29H27N3O4
Net Charge 0
Average Mass 481.543
Monoisotopic Mass 481.20016
InChI InChI=1S/C29H27N3O4/c1-36-24-6-2-4-21(14-24)8-7-20-9-11-23(12-10-20)29-25-17-31(18-28(35)32(25)26(29)19-33)27(34)15-22-5-3-13-30-16-22/h2-6,9-14,16,25-26,29,33H,15,17-19H2,1H3/t25-,26+,29-/m1/s1
InChIKey CJSRFBOGAUFXII-UWPQIUOOSA-N
SMILES COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CN=CC=C5
ChEBI Ontology
Outgoing (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126330) is a azetidines (CHEBI:38777)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126330) is a benzenes (CHEBI:22712)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126330) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37896 LINCS
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