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
    DB00701 drugbank
    478 rcsb_pdb
    CHEMBL116 chembl
    34151 surechembl
    65016 pubchem
    5S0W860XNR fdasrs
    478 - Ideal conformer pdbe
    PD010072 probes_and_drugs
    1608 brenda
    229161 brenda
    229162 brenda
    CHEBI:40050 chebi
    HMDB0014839 hmdb
    Molport-000-883-856 molport
    200 drugcentral
    577 bindingdb
    The data in this table is sourced from UniChem at EBI.