Dataset

Sacubitril

This MassBank record with Accession MSBNK-Eawag-EQ01101452 contains the MS2 mass spectrum of Sacubitril with the InChIkey PYNXFZCZUAOOQC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)
SMILES CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
InChI Key PYNXFZCZUAOOQC-UHFFFAOYSA-N
Molecular Formula C24H29NO5
Exact Mass 411.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101452
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:58:27.530846
MetadataModified 2025-02-09T09:58:27.691455
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54214995 PubChem
HMDB0257439 Human Metabolome Database
SCHEMBL489040 SureChEMBL
PD024218 ProbesDrugs
The data in this table is sourced from UniChem at EBI.