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

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ChEBI Name Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin
ChEBI ID CHEBI:136755
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C33H36F3N5O10
Net Charge 0
Average Mass 719.663
Monoisotopic Mass 719.24143
InChI InChI=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
InChIKey GWKJISJKNKIJNP-DEQDFGQZSA-N
SMILES C(=O)([C@@H](NC(=O)[C@@H](NC(=O)C)CC1=CC=C(C=C1)O)C(C)C)N[C@H](C(=O)N[C@H](C(=O)NC=2C=C3OC(C=C(C3=CC2)C(F)(F)F)=O)CC(=O)O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): protease inhibitor
A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Ac-L-Tyr-L-Val-L-Ala-L-Asp-AFC ChEBI
Ac-Tyr-Val-Ala-Asp-AFC ChEBI
Ac-YVAD-AFC ChEBI
Last Modified
29 January 2018