CHEBI:177730 - Telinavir

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Telinavir
ChEBI ID CHEBI:177730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44N6O5
Net Charge 0
Average Mass 604.752
Monoisotopic Mass 604.33732
InChI InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1
InChIKey ZILOOGIOHVCEKS-HZFUHODCSA-N
SMILES O[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)C1=NC=2C(C=C1)=CC=CC2)CC(=O)N)CC3=CC=CC=C3)CN(CC(C)C)C(=O)NC(C)(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Telinavir (CHEBI:177730) is a asparagine derivative (CHEBI:22654)
IUPAC Name
(2S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Manual Xrefs Databases
339331 ChemSpider
D03842 KEGG DRUG
DB12178 KEGG DRUG
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Registry Number Type Source
143224-34-4 CAS Registry Number ChemIDplus