CHEBI:149924 - Tert-butyl 4-benzyl-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tert-butyl 4-benzyl-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:149924
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H46N4O7
Net Charge 0
Average Mass 586.730
Monoisotopic Mass 586.33665
InChI InChI=1S/C31H46N4O7/c1-21(2)17-25(27(38)33-24(20-36)18-23-11-14-32-26(23)37)34-28(39)41-31(19-22-9-7-6-8-10-22)12-15-35(16-13-31)29(40)42-30(3,4)5/h6-10,20-21,23-25H,11-19H2,1-5H3,(H,32,37)(H,33,38)(H,34,39)/t23-,24-,25-/m0/s1
InChIKey UGEDYCZHWKTZHO-SDHOMARFSA-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)CC=3C=CC=CC3)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-benzyl-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-benzyl-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:149924) has role anticoronaviral agent (CHEBI:149553)
Tert-butyl 4-benzyl-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:149924) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL