CHEBI:149934 - Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate

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ChEBI Name Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate
ChEBI ID CHEBI:149934
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H25ClN3O6P
Net Charge 0
Average Mass 517.900
Monoisotopic Mass 517.11695
InChI InChI=1S/C24H25ClN3O6P/c1-18(23(30)33-17-19-10-4-2-5-11-19)27-35(32,34-20-12-6-3-7-13-20)15-9-8-14-28-16-21(25)22(29)26-24(28)31/h2-13,16,18H,14-15,17H2,1H3,(H,27,32)(H,26,29,31)/b9-8+/t18-,35?/m0/s1
InChIKey HPFPJPBJRGTRHI-HRRFIACWSA-N
SMILES C1(=CN(C(NC1=O)=O)C/C=C/CP(N[C@H](C(OCC2=CC=CC=C2)=O)C)(=O)OC3=CC=CC=C3)Cl
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate )
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ChEBI Ontology
Outgoing Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate (CHEBI:149934) has role anticoronaviral agent (CHEBI:149553)
Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate (CHEBI:149934) is a α-amino acid ester (CHEBI:46874)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL