CHEBI:40050 - amprenavir

ChEBI IDCHEBI:40050
ChEBI Nameamprenavir
Stars
Secondary ChEBI IDsCHEBI:2684, CHEBI:40043
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H35N3O6S
Net Charge0
Average Mass505.637
Monoisotopic Mass505.22466
SMILESCC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=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
InChIKeyYMARZQAQMVYCKC-OEMFJLHTSA-N
Wikipedia
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
HIV protease inhibitor  An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
antiviral agent  A substance that destroys or inhibits replication of viruses.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
amprenavir (CHEBI:40050) has role anti-HIV agent (CHEBI:64946)
amprenavir (CHEBI:40050) has role antiviral agent (CHEBI:22587)
amprenavir (CHEBI:40050) has role antiviral drug (CHEBI:36044)
amprenavir (CHEBI:40050) has role HIV protease inhibitor (CHEBI:35660)
amprenavir (CHEBI:40050) is a carbamate ester (CHEBI:23003)
amprenavir (CHEBI:40050) is a sulfonamide (CHEBI:35358)
amprenavir (CHEBI:40050) is a tetrahydrofuryl ester (CHEBI:47020)
IUPAC Name 
(3S)-tetrahydrofuran-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
Synonyms  Source
141 W94ChEMBL
141W94ChEMBL
(3S)-Tetrahydro-3-furanyl ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamateChemIDplus
AgeneraseChemIDplus
AmprenavirKEGG COMPOUND
AmprenavirKEGG DRUG
Manual XrefsDatabases
200DrugCentral
AmprenavirWikipedia
C08086KEGG COMPOUND
D00894KEGG DRUG
DB00701DrugBank
Registry NumbersSources
Beilstein:10126027Beilstein
CAS:161814-49-9ChemIDplus
CAS:161814-49-9KEGG COMPOUND
Citations