OntologieschebiclassesCHEBI:138013   
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Z-DEVD-FMK
http://purl.obolibrary.org/obo/CHEBI_138013

A tetrapeptide consisting of Fmoc-L-aspartic acid 4-methyl ester, methyl L-alpha-glutamic acid 5-methyl ester, L-valine and the fluoromethyl ketone derived from the 1-carboxy group of L-aspartic acid 4-methyl ester coupled in sequence. It is a specific, irreversible caspase-3 inhibitor that also shows potent inhibition of caspase-6, caspase-7, caspase-8, and caspase-10.

Also appears inslm
Related Synonyms
benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethylketone
benzyloxycarbonyl-Asp-Glu-Val-Asp-fluoromethylketone
methyl (4S)-5-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoyl]amino}-5-oxopentanoate
methyl (5S,8S,11S,14S)-14-(fluoroacetyl)-11-isopropyl-5-(2-methoxy-2-oxoethyl)-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate
N-[(phenylmethoxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-valinamide, 1,2-dimethyl ester
specific inhibitor of caspase-3
Z-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethylketone
Z-DEVD-fluoromethylketone
class Information
charge

0

formula

C30H41FN4O12

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1

inchikey

GBJVAVGBSGRRKN-JYEBCORGSA-N

in_subset

3_STAR

mass

668.666

monoisotopicmass

668.27050

smiles

N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(CF)=O)CC(=O)OC)=O)C(C)C)=O)CCC(OC)=O)=O)CC(OC)=O)C(OCC=1C=CC=CC1)=O

class Relations