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CHEBI:755370 - faldaprevir sodium

Default Structure
ChEBI IDCHEBI:755370
ChEBI Namefaldaprevir sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C40H48BrN6O9S
Net Charge0
Average Mass891.818
Monoisotopic Mass890.22845
SMILESC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)[O-].[Na+]
InChIInChI=1S/C40H49BrN6O9S.Na/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);/q;+1/p-1/t21-,23-,27+,32-,40-;/m1./s1
InChIKeyJYIOGGWFNHGWMN-CWNXUBRBSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
faldaprevir sodium (CHEBI:755370) is a oligopeptide (CHEBI:25676)
Synonyms  Source
BI 201335 NAChEMBL
BI-201335 NAChEMBL
BI-201335-NAChEMBL
BI-201335NAChEMBL
BI-201335 NA SALTChEMBL
BI-201335 SODIUM SALTChEMBL