CHEBI:59385 - Ac-Asp-Glu-Val-Asp-H

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ChEBI Name Ac-Asp-Glu-Val-Asp-H
ChEBI ID CHEBI:59385
Definition A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H30N4O11
Net Charge 0
Average Mass 502.47240
Monoisotopic Mass 502.191
InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1
InChIKey UMBVAPCONCILTL-MRHIQRDNSA-N
SMILES [H]C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)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-Asp-Glu-Val-Asp-H (CHEBI:59385) has role protease inhibitor (CHEBI:37670)
Ac-Asp-Glu-Val-Asp-H (CHEBI:59385) is a tetrapeptide (CHEBI:48030)
IUPAC Name
N-acetyl-L-α-aspartyl-L-α-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-valinamide
Synonyms Sources
Ac-DEVD-CHO ChEBI
N-acetyl-L-α-aspartyl-L-α-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]-L-valinamide IUPAC
Last Modified
07 May 2010