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CHEBI:177769 - Sovaprevir

ChEBI IDCHEBI:177769
ChEBI NameSovaprevir
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H53N5O8S
Net Charge0
Average Mass799.991
Monoisotopic Mass799.36148
SMILESC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)N1CCCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C43H53N5O8S/c1-6-28-25-43(28,41(52)46-57(53,54)31-16-17-31)45-39(50)36-22-30(26-48(36)40(51)33(42(2,3)4)23-38(49)47-19-11-8-12-20-47)56-37-24-34(27-13-9-7-10-14-27)44-35-21-29(55-5)15-18-32(35)37/h6-7,9-10,13-15,18,21,24,28,30-31,33,36H,1,8,11-12,16-17,19-20,22-23,25-26H2,2-5H3,(H,45,50)(H,46,52)/t28-,30-,33-,36+,43-/m1/s1
InChIKeyMHFMTUBUVQZIRE-WINRQGAFSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sovaprevir (CHEBI:177769) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,4R)-N-[(1R,2S)-1-(cyclopropylsulonylcarbamoyl)-2-ethenylcyclopropyl]-1-[(2S)-3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide
Manual XrefsDatabases
D10166KEGG DRUG
28529313ChemSpider
DB12069DrugBank
Registry NumbersSources
CAS:1001667-23-7ChemIDplus