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CHEBI:134723 - asunaprevir

ChEBI IDCHEBI:134723
ChEBI Nameasunaprevir
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC35H46ClN5O9S
Net Charge0
Average Mass748.299
Monoisotopic Mass747.27048
SMILES[H][C@]1(Oc2ncc(OC)c3ccc(Cl)cc23)CN(C(=O)[C@@]([H])(NC(=O)OC(C)(C)C)C(C)(C)C)[C@]([H])(C(=O)N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@@]2([H])C=C)C1
InChIInChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
InChIKeyXRWSZZJLZRKHHD-WVWIJVSJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
asunaprevir (CHEBI:134723) is a oligopeptide (CHEBI:25676)
Synonyms  Source
BMS-650032DrugCentral
sunvepraDrugCentral
Manual XrefsDatabases
4889DrugCentral
Registry NumbersSources
CAS:630420-16-5DrugCentral