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198904-86-8

198904-86-8 Structure

198904-86-8 Structure
IdentificationBack Directory
[Name]

Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir
[CAS]

198904-86-8
[Synonyms]

-2-(4-(pyridin-2-yl)
tert-Butyl 2-((2S,3S)
-2-hydroxy-4-phenylbutyl)
AtazanavirSulfateInterMediates-01
dimethylethoxy)carbonyl]amino]-2-hydroxy-4-
Hydrazinecarboxylic acid, 2-[(2S,3S)-3-[[(1,1-
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir
1-(4-(pyridin-2-yl)phenyl)-5(S)-2,5-bis((tert-butyloxy-carbonyl)
phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethyl ester
2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridi
2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl] -2-[[4-(2-pyridiny
1-[4-(pyridin-2-yl)phenyl]-5(S)-2,5-bis[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2-azahexane
1-[4-(Pyridin-2-yl)phenyl]-5(S)-2,5-bis[(tert-butyloxycarbonyl)-amino]-4(S)-hydroxyl-6-phenyl-2-azahexane
Tert-butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)aMino]-2-hydroxy-4-phenylbutyl}-2-[4-(2-pyridinyl)benzyl]hydrazinecarboxylate
tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate
2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic acid tert-butyl ester
2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl] -2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester
Hydrazinecarboxylic acid, 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C32H42N4O5
[MDL Number]

MFCD17019309
[MOL File]

198904-86-8.mol
[Molecular Weight]

562.7
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

185-186℃
[density ]

1.157
[vapor pressure ]

0-0Pa at 25℃
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.05±0.50(Predicted)
[color ]

Off-White to Pale Beige
[InChIKey]

KYSDBVSJLBOZDZ-NSOVKSMOSA-N
[SMILES]

N(C(OC(C)(C)C)=O)N(C[C@H](O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)CC1=CC=C(C2=NC=CC=C2)C=C1
[LogP]

3.9 at 30℃ and pH6.9
[CAS DataBase Reference]

198904-86-8
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

An intermediate for the synthesis of Atazanavir and the preparation of some peptide analogs
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H319-H373
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501
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