Dataset

Amprenavir

This MassBank record with Accession MSBNK-Waters-WA001168 contains the MS mass spectrum of Amprenavir with the InChIkey YMARZQAQMVYCKC-OEMFJLHTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
SMILES CC(C)CN(CC(O)C(NC(=O)OC(C3)COC3)Cc(c2)cccc2)S(=O)(=O)c(c1)ccc(N)c1
InChI Key YMARZQAQMVYCKC-OEMFJLHTSA-N
Molecular Formula C25H35N3O6S
Exact Mass 505.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001168
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:52.633701
MetadataModified 2024-01-11T22:47:52.804067
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
Amprenavir-(Agenerase) Selleck
PD010072 ProbesDrugs
5S0W860XNR FDA SRS
14835820 PubChem: Thomson Pharma
14884574 PubChem: Thomson Pharma
65016 PubChem
SCHEMBL34151 SureChEMBL
J1.015.291G Nikkaji
40050 ChEBI
MCULE-8147835017 Mcule
200 DrugCentral
ZINC000003809192 ZINC
577 BindingDB
AMPRENAVIR DailyMed
229161 Brenda
229162 Brenda
HY-17430 MedChemExpress
KVX-478 clinicaltrials
AGENERASE clinicaltrials
141W94 clinicaltrials
AMPRENAVIR clinicaltrials
VX-478 clinicaltrials
141 W94 clinicaltrials
AMPRENAVIR rxnorm
1608 Brenda
50215393 BindingDB
CB4186139 ChemicalBook
HMDB0014839 Human Metabolome Database
PA448422 PharmGKB
DB00701 DrugBank
C08086 KEGG Ligand
CHEMBL116 ChEMBL
478 PDBe
12014852 PubChem: Drugs of the Future
877446 eMolecules
The data in this table is sourced from UniChem at EBI.