CHEBI:149933 - (4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
ChEBI ID CHEBI:149933
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H40N4O7S
Net Charge 0
Average Mass 564.700
Monoisotopic Mass 564.26177
InChI InChI=1S/C27H40N4O7S/c1-19(2)15-23(25(34)29-22(18-32)16-21-9-12-28-24(21)33)30-26(35)38-27(17-20-7-5-4-6-8-20)10-13-31(14-11-27)39(3,36)37/h4-8,18-19,21-23H,9-17H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-/m0/s1
InChIKey ZLOZUJAXLMKVNG-VABKMULXSA-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)S(C)(=O)=O
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via (4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CHEBI:149933) has role anticoronaviral agent (CHEBI:149553)
(4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate (CHEBI:149933) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL