CHEBI:134723 - asunaprevir

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name asunaprevir
ChEBI ID CHEBI:134723
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H46ClN5O9S
Net Charge 0
Average Mass 748.288
Monoisotopic Mass 747.27048
InChI InChI=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
InChIKey XRWSZZJLZRKHHD-WVWIJVSJSA-N
SMILES C1=NC(=C2C(=C1OC)C=CC(=C2)Cl)O[C@@]3(C[C@](N(C3)C([C@@](NC(OC(C)(C)C)=O)(C(C)(C)C)[H])=O)(C(N[C@]4([C@](C=C)(C4)[H])C(=O)NS(C5CC5)(=O)=O)=O)[H])[H]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing asunaprevir (CHEBI:134723) is a oligopeptide (CHEBI:25676)
Synonyms Sources
BMS-650032 DrugCentral
sunvepra DrugCentral
Manual Xref Database
4889 DrugCentral
View more database links
Registry Number Type Source
630420-16-5 CAS Registry Number DrugCentral
Last Modified
23 February 2017