CHEBI:149927 - Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
ChEBI ID CHEBI:149927
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H41N4O10S.Na
Net Charge 0
Average Mass 600.660
Monoisotopic Mass 600.24411
InChI InChI=1S/C24H42N4O10S.Na/c1-14(2)12-17(20(30)26-18(21(31)39(34,35)36)13-15-6-9-25-19(15)29)27-22(32)37-16-7-10-28(11-8-16)23(33)38-24(3,4)5;/h14-18,21,31H,6-13H2,1-5H3,(H,25,29)(H,26,30)(H,27,32)(H,34,35,36);/q;+1/p-1/t15-,17-,18-,21?;/m0./s1
InChIKey MVNGOUPOTIVRRK-FCSMXUNPSA-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)OC(C)(C)C)=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-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149927) has role anticoronaviral agent (CHEBI:149553)
Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149927) is a leucine derivative (CHEBI:47003)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL