CHEBI:149848 - Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
ChEBI ID CHEBI:149848
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32FN3O5
Net Charge 0
Average Mass 437.512
Monoisotopic Mass 437.23260
InChI InChI=1S/C22H32FN3O5/c1-15(2)12-18(25-22(30)31-14-16-8-6-5-7-9-16)21(29)24-17(19(27)13-23)10-11-20(28)26(3)4/h5-9,15,17-18H,10-14H2,1-4H3,(H,24,29)(H,25,30)/t17?,18-/m0/s1
InChIKey UBPKJZUVHMCXAZ-ZVAWYAOSSA-N
SMILES C=1C=CC(COC(N[C@H](C(NC(C(=O)CF)CCC(N(C)C)=O)=O)CC(C)C)=O)=CC1
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): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CHEBI:149848) has role anticoronaviral agent (CHEBI:149553)
Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CHEBI:149848) is a peptide (CHEBI:16670)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL