ciluprevir (CHEBI:748180)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748180 - ciluprevir

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:748180
ChEBI Name	ciluprevir
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C40H50N6O8S
Net Charge	0
Average Mass	774.941
Monoisotopic Mass	774.34108
SMILES	[H][C@@]12C[C@@H](Oc3cc(-c4csc(NC(C)C)n4)nc4cc(OC)ccc34)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)CCCCC/C=C\[C@]1([H])C[C@@]1(C(=O)O)NC2=O
InChI	InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
InChIKey	PJZPDFUUXKKDNB-KNINVFKUSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	ciluprevir (CHEBI:748180) is a peptide (CHEBI:16670)

INN	Source
ciluprevir	WHO MedNet

Synonyms	Source
BILN-2061	ChEMBL
BILN 2061 ZW	ChEMBL
BILN-2061-ZW	ChEMBL

Citations