Dataset

Amprenavir; LC-ESI-Q; MS; POS; 90 V

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

Chemical Information

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
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD010072 ProbesDrugs
    14884574 PubChem: Thomson Pharma
    14835820 PubChem: Thomson Pharma
    Amprenavir-(Agenerase) Selleck
    65016 PubChem
    5S0W860XNR FDA SRS
    877446 eMolecules
    40050 ChEBI
    MCULE-8147835017 Mcule
    SCHEMBL34151 SureChEMBL
    HMDB0014839 Human Metabolome Database
    CB4186139 ChemicalBook
    1608 Brenda
    ZINC000003809192 ZINC
    PA448422 PharmGKB
    DB00701 DrugBank
    C08086 KEGG Ligand
    CHEMBL116 ChEMBL
    478 PDBe
    12014852 PubChem: Drugs of the Future
    J1.015.291G Nikkaji
    200 DrugCentral
    229162 Brenda
    AMPRENAVIR rxnorm
    AGENERASE clinicaltrials
    577 BindingDB
    141W94 clinicaltrials
    AMPRENAVIR clinicaltrials
    VX-478 clinicaltrials
    141 W94 clinicaltrials
    KVX-478 clinicaltrials
    AMPRENAVIR DailyMed
    HY-17430 MedChemExpress
    229161 Brenda
    50215393 BindingDB
    The data in this table is sourced from UniChem at EBI.