CHEBI:149926 - Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate

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ChEBI Name Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
ChEBI ID CHEBI:149926
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H37N4O10S.Na
Net Charge 0
Average Mass 572.610
Monoisotopic Mass 572.21281
InChI InChI=1S/C22H38N4O10S.Na/c1-4-35-22(31)26-9-6-15(7-10-26)36-21(30)25-16(11-13(2)3)19(28)24-17(20(29)37(32,33)34)12-14-5-8-23-18(14)27;/h13-17,20,29H,4-12H2,1-3H3,(H,23,27)(H,24,28)(H,25,30)(H,32,33,34);/q;+1/p-1/t14-,16-,17-,20?;/m0./s1
InChIKey FTLUCMWMNGOWPX-OPOLGWMESA-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)C(=O)OCC)=O)O)[O-]
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate )
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ChEBI Ontology
Outgoing Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149926) has role anticoronaviral agent (CHEBI:149553)
Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149926) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL