CHEBI:149931 - Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate

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ChEBI Name Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
ChEBI ID CHEBI:149931
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H35N4O10S2.Na
Net Charge 0
Average Mass 578.630
Monoisotopic Mass 578.16923
InChI InChI=1S/C20H36N4O10S2.Na/c1-12(2)10-15(23-20(28)34-14-5-8-24(9-6-14)35(3,29)30)18(26)22-16(19(27)36(31,32)33)11-13-4-7-21-17(13)25;/h12-16,19,27H,4-11H2,1-3H3,(H,21,25)(H,22,26)(H,23,28)(H,31,32,33);/q;+1/p-1/t13-,15-,16-,19?;/m0./s1
InChIKey OXYUFTIDAUNJGP-KEWDJMNSSA-M
SMILES [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2CCN(CC2)S(C)(=O)=O)=O)O)[O-]
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate )
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ChEBI Ontology
Outgoing Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149931) has role anticoronaviral agent (CHEBI:149553)
Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149931) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL