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CHEBI:149849 - Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

ChEBI IDCHEBI:149849
ChEBI NameBenzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
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DownloadsMolfile
FormulaC22H32FN3O5
Net Charge0
Average Mass437.512
Monoisotopic Mass437.23260
SMILESCCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)N(C)C)C(=O)CF
InChIInChI=1S/C22H32FN3O5/c1-5-15(2)20(25-22(30)31-14-16-9-7-6-8-10-16)21(29)24-17(18(27)13-23)11-12-19(28)26(3)4/h6-10,15,17,20H,5,11-14H2,1-4H3,(H,24,29)(H,25,30)/t15?,17?,20-/m0/s1
InChIKeyRKGZUGUTFRGBHD-LAGYLCCXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (CHEBI:149849) has role anticoronaviral agent (CHEBI:149553)
Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (CHEBI:149849) is a peptide (CHEBI:16670)