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)

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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 ID	CHEBI:149931
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
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Formula	C20H35N4O10S2.Na
Net Charge	0
Average Mass	578.642
Monoisotopic Mass	578.16923
SMILES	CC(C)C[C@H](NC(=O)OC1CCN(S(C)(=O)=O)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]
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

Roles Classification

Biological Role:

anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses.

ChEBI Ontology

Outgoing Relation(s)
	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)