R 87366
Basic information
- CAS
144779-91-9- Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1- InChIKey
UYZMZENNYRSFDS-QNWDWTFCSA-N- Molecular formula
- C32H39N7O6
- Average molar mass
- 617.7 g/mol
- Monoisotopic mass
- 617.29618199
Overview
structure given in first source
Names & identifiers
- Preferred name
- R 87366
- IUPAC
- (2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoxaline-2-carbonylamino)butanediamide
- English name
- (2S,3S)-3-[N-(Quinoxaline-2-carbonyl)-L-asparaginyl]amino-2-hydroxy-4- phenylbutanoyl-L-proline, tert-butylamide
- Molecular formula
- C32H39N7O6
- Molecular weight
- 617.7
Names & synonyms
144779-91-9R-87366R 87366DTXSID10162800RefChem:178436DTXCID5085291(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoxaline-2-carbonylamino)butanediamide(S)-N1-((2S,3S)-4-((S)-2-(tert-Butylcarbamoyl)pyrrolidin-1-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-(quinoxaline-2-carboxamido)succinamide(2S,3S)-3-(N-(Quinoxaline-2-carbonyl)-L-asparaginyl)amino-2-hydroxy-4-phenylbutanoyl-L-proline, tert-butylamide(2S,3S)-3-[N-(Quinoxaline-2-carbonyl)-L-asparaginyl]amino-2-hydroxy-4-phenylbutanoyl-L-proline, tert-butylamideorb1701736SCHEMBL15531796
Show more names
R87366L-Prolinamide, N2-(2-quinoxalinylcarbonyl)-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)- (9CI)
(2S,3S)-3-[N-(Quinoxaline-2-carbonyl)-L-asparaginyl]amino-2-hydroxy-4- phenylbutanoyl-L-proline, tert-butylamideAKOS040747338DA-59499HY-19232CS-0014974T26024(2S)-N-[(1S,2S)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]-2-(quinoxaline-2-carbonylamino)butanediamide3-(N-(quinoxaline-2-carbonyl)-L-asparaginyl)amino-2-hydroxy-4-phenylbutanoyl-L-proline tert-butylamide
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 1055.458 · 1055.458±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.009 · 10.009±0.46(predicted)
Chemistry & industry
Applications
DescriptionR 87366 is a water-soluble HIV protease inhibitor.
UsesR-87366 is a water-soluble human immunodeficiency virus (HIV) protease inhibitor. R-87366 has potent inhibitory for HIV protease with a Ki value of 11 nM. R-87366 can be used for the research of anti-human immunodeficiency virus (HIV)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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