CHEBI:149936 - Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate

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ChEBI Name Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
ChEBI ID CHEBI:149936
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H36N4O7
Net Charge 0
Average Mass 468.551
Monoisotopic Mass 468.25840
InChI InChI=1S/C22H36N4O7/c1-4-32-22(31)26-9-6-17(7-10-26)33-21(30)25-18(11-14(2)3)20(29)24-16(13-27)12-15-5-8-23-19(15)28/h13-18H,4-12H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)/t15-,16-,18-/m0/s1
InChIKey YYTRYFVBTGDGMR-BQFCYCMXSA-N
SMILES N1(CCC(CC1)OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)C(=O)OCC
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate (CHEBI:149936) has role anticoronaviral agent (CHEBI:149553)
Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate (CHEBI:149936) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL