Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149928)

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CHEBI:149928 - Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate

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ChEBI ID	CHEBI:149928
ChEBI Name	Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
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Formula	C27H41N4O10S2.Na
Net Charge	0
Average Mass	668.767
Monoisotopic Mass	668.21618
SMILES	CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(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/C27H42N4O10S2.Na/c1-18(2)15-21(24(33)29-22(25(34)43(38,39)40)16-20-9-12-28-23(20)32)30-26(35)41-27(17-19-7-5-4-6-8-19)10-13-31(14-11-27)42(3,36)37;/h4-8,18,20-22,25,34H,9-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,35)(H,38,39,40);/q;+1/p-1/t20-,21-,22-,25?;/m0./s1
InChIKey	PVFOFJYHUDKJAA-FLABFKKQSA-M

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149928) has role anticoronaviral agent (CHEBI:149553)
	Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate (CHEBI:149928) is a leucine derivative (CHEBI:47003)