N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
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N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
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CAS No:
154612-39-2
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Formula:
C41H52N6O5
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Chemical Name:
N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
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Synonyms:
Palinavir; UNII-632S1WU9Z2; n-[(1s)-1-[[(1s,2r)-1-benzyl-3-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino]-2-hydroxypropyl]carbamoyl]-2-methylpropyl]quinaldamide; Palinavir (USAN/INN); BILA 2011 BS;
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CAS No:
Description
Palinavir is a N-acyl-amino acid.|Palinavir is a hydroxyethylamine-based peptidomimetic inhibitor of human immunodeficiency virus (HIV) protease.
N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Basic Attributes
708.88900
708.39991878 g/mol
632S1WU9Z2
DTXSID30165676
C66292
Drug Information
N-((1S)-1-(((1S,2R)-1-benzyl-3-((2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino)-2-hydroxypropyl)carbamoyl)-2-methylpropyl)quinaldamide
Computed Properties
Molecular Weight:708.9
XLogP3:5.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:708.39991878
Monoisotopic Mass:708.39991878
Topological Polar Surface Area:146
Heavy Atom Count:52
Complexity:1140
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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