(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-Amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Catalog No. :: ACLDPS376
CAS No. :: 1159613-27-0
Molecular Formula :: C33H45N3O13S
Molecular Weight :: 723.80

IUPAC Name:(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-Amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid structure diagram

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Product Information

Product Name	(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-Amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
IUPAC Name	(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
MDL No.	MFCD24386655
Molecular Formula	C33H45N3O13S
Molecular Weight	723.80
SMILES	O(C(N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(N)C=C1)CC(C)C)O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)CC3=CC=CC=C3)=O)[C@@H]4[C@]5([C@@](OC4)(OCC5)[H])[H]
InChI Key	QZOVHLAWBUMQFG-XXNFXRIYSA-N
Synonym	Darunavir O-β-D-Glucuronide;(1R,2S)-1-[[[(4-AMinophenyl)sulfonyl](2-Methylpropyl)aMino]Methyl]-2-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]aMino]-3-phenylpropyl β-D-Glucopyranosiduronic Acid;Darunavir-O-Glucuronide;Darunavir O-β-D-Glucuronide DISCONTINUED;β-D-Glucopyranosiduronic acid, (1R,2S)-1-[[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]methyl]-2-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-3-phenylpropyl;Darunavir-Beta-D-Glucuronide
CAS No.	1159613-27-0

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ACLDPS3761159613-27-0

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ACLDPS3761159613-27-0

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(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-Amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

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Synthetic Route by SureRoute

1. ACLDPS376 Molecular Building Block Synthetic Route

2. ACLDPS376 Molecular Building Block Synthetic Route

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(2S,3S,4S,5R,6R)-6-(((2R,3S)-1-((4-Amino-N-isobutylphenyl)sulfonamido)-3-(((((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-4-phenylbutan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Product Information

Synthetic Route by SureRoute

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

(3R,3AS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate Ethanolate

(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl ((2R,3S)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2R,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

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