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N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide |
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CHEBI:46414 |
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N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide |
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An N,N-disubstituted toluene-p-sulfonamaide, with a structure close to that of darunavir. It is found to inhibit dimerization of HIV-1 protease subunits. |
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![](images/goldenstar.gif) ![](images/goldenstar.gif)
This entity has been manually annotated by the ChEBI Team.
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CHEBI:42890, CHEBI:519358, CHEBI:46413
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Molfile
XML
SDF
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more structures >>
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InChI=1S/C29H40N2O7S/c1- 20(2) 17- 31(39(35,36) 25- 10- 8- 22(19- 32) 9- 11- 25) 18- 27(33) 26(14- 21- 6- 4- 3- 5- 7- 21) 30- 29(34) 38- 24- 15- 23- 12- 13- 37- 28(23) 16- 24/h3- 11,20,23- 24,26- 28,32- 33H,12- 19H2,1- 2H3,(H,30,34) /t23- ,24+,26- ,27+,28+/m0/s1 |
VYBDPVQMILRSMK-GRXYLYAXSA-N |
[H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |
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View more via ChEBI Ontology
Outgoing
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N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide
(CHEBI:46414)
has role
HIV protease inhibitor
(CHEBI:35660)
N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide
(CHEBI:46414)
is a
carbamate ester
(CHEBI:23003)
N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide
(CHEBI:46414)
is a
cyclopentafuran
(CHEBI:47783)
N- s- butyl- N- [(2R,3S)- 3- ({[(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yloxy]carbonyl}amino)- 2- hydroxy- 4- phenylbutyl]- 4- (hydroxymethyl)benzenesulfonamide
(CHEBI:46414)
is a
sulfonamide
(CHEBI:35358)
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(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yl {(2S,3R)- 3- hydroxy- 4- [{[4- (hydroxymethyl)phenyl]sulfonyl}(2- methylpropyl)amino]- 1- phenylbutan- 2- yl}carbamate
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(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yl (2S,3R)- 3- hydroxy- 4- (4- (hydroxymethyl)- N- isobutylphenylsulfonamido)- 1- phenylbutan- 2- ylcarbamate
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ChEMBL
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(3AS,5R,6AR)- HEXAHYDRO- 2H- CYCLOPENTA[B]FURAN- 5- YL (2S,3S)- 3- HYDROXY- 4- (4- (HYDROXYMETHYL)- N- ISOBUTYLPHENYLSULFONAMIDO)- 1- PHENYLBUTAN- 2- YLCARBAMATE
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PDBeChem
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(3aS,5R,6aR)- hexahydro- 2H- cyclopenta[b]furan- 5- yl {(1S,2R)- 1- benzyl- 2- hydroxy- 3- [{[4- (hydroxymethyl)phenyl]sulfonyl}(2- methylpropyl)amino]propyl}carbamate
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IUPAC
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