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CHEBI:136755 - Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin

ChEBI IDCHEBI:136755
ChEBI NameAc-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin
Stars
DefinitionA tetrapeptide obtained by formal condensation of the C-terminal carboxy group of Ac-Tyr-Val-Ala-Asp with the amino group of 7-amino-4-trifluoromethylcoumarin.
Last Modified29 January 2018
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC33H36F3N5O10
Net Charge0
Average Mass719.670
Monoisotopic Mass719.24143
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(C)C
InChIInChI=1S/C33H36F3N5O10/c1-15(2)28(41-31(49)23(38-17(4)42)11-18-5-8-20(43)9-6-18)32(50)37-16(3)29(47)40-24(14-26(44)45)30(48)39-19-7-10-21-22(33(34,35)36)13-27(46)51-25(21)12-19/h5-10,12-13,15-16,23-24,28,43H,11,14H2,1-4H3,(H,37,50)(H,38,42)(H,39,48)(H,40,47)(H,41,49)(H,44,45)/t16-,23-,24-,28-/m0/s1
InChIKeyGWKJISJKNKIJNP-DEQDFGQZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
protease inhibitor  A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
ChEBI Ontology
Outgoing Relation(s)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) has functional parent 7-amino-4-(trifluoromethyl)coumarin (CHEBI:51772)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) has role protease inhibitor (CHEBI:37670)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) is a acetamides (CHEBI:22160)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) is a coumarins (CHEBI:23403)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) is a organofluorine compound (CHEBI:37143)
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin (CHEBI:136755) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N-acetyl-L-tyrosyl-L-valyl-L-alanyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-L-α-asparagine
Synonyms  Source
Ac-YVAD-AFCChEBI
Ac-Tyr-Val-Ala-Asp-AFCChEBI
Ac-L-Tyr-L-Val-L-Ala-L-Asp-AFCChEBI