CHEBI:130140 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:130140
Stars This entity has been manually annotated by a third party.
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Formula C26H29N3O4
Net Charge 0
Average Mass 447.527
Monoisotopic Mass 447.21581
InChI InChI=1S/C26H29N3O4/c1-3-13-27-26(32)28-15-22-25(23(17-30)29(22)24(31)16-28)20-11-9-18(10-12-20)7-8-19-5-4-6-21(14-19)33-2/h4-6,9-12,14,22-23,25,30H,3,13,15-17H2,1-2H3,(H,27,32)/t22-,23+,25-/m1/s1
InChIKey HWTLLAZAXGMWGF-GIFXNVAJSA-N
SMILES CCCNC(=O)N1C[C@@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)OC
ChEBI Ontology
Outgoing (6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130140) is a azetidines (CHEBI:38777)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130140) is a benzenes (CHEBI:22712)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:130140) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41690 LINCS
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