CHEBI:149932 - Tert-butyl 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 Tert-butyl 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:149932
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H40N4O7
Net Charge 0
Average Mass 496.605
Monoisotopic Mass 496.28970
InChI InChI=1S/C24H40N4O7/c1-15(2)12-19(21(31)26-17(14-29)13-16-6-9-25-20(16)30)27-22(32)34-18-7-10-28(11-8-18)23(33)35-24(3,4)5/h14-19H,6-13H2,1-5H3,(H,25,30)(H,26,31)(H,27,32)/t16-,17-,19-/m0/s1
InChIKey SBHUNCJSGGMNPS-LNLFQRSKSA-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)OC(C)(C)C
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Tert-butyl 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 Ontology
Outgoing Tert-butyl 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:149932) has role anticoronaviral agent (CHEBI:149553)
Tert-butyl 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:149932) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL