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R 87366

CAT: 0931-T26024-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26024-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144779-91-9
Target
Others, HIV Protease
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
R 87366 is used as a water-soluble HIV protease inhibitor.
Smiles
C([C@H]([C@H](CC1=CC=CC=C1)NC([C@@H](NC(=O)C2=NC3=C(N=C2)C=CC=C3)CC(N)=O)=O)O)(=O)N4[C@H](C(NC(C)(C)C)=O)CCC4
Molecular Formula
C32H39N7O6
Molecular Weight
617.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

R 87366

structure given in first source

CAS Number144779-91-9
PubChem CID464206
IUPAC Name(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
Molecular FormulaC32H39N7O6
Molecular Weight617.7
XLogP0.8
Topological Polar Surface Area197
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity1070
SMILES
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4N=C3)O
InChI
InChI=1S/C32H39N7O6/c1-32(2,3)38-30(44)25-14-9-15-39(25)31(45)27(41)22(16-19-10-5-4-6-11-19)36-28(42)23(17-26(33)40)37-29(43)24-18-34-20-12-7-8-13-21(20)35-24/h4-8,10-13,18,22-23,25,27,41H,9,14-17H2,1-3H3,(H2,33,40)(H,36,42)(H,37,43)(H,38,44)/t22-,23-,25-,27-/m0/s1
InChIKey
UYZMZENNYRSFDS-QNWDWTFCSA-N
Chemical Structure
2D Structure
2D structure of R 87366
CAS: 144779-91-9
CID: 464206
Formula: C32H39N7O6
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.7
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass617.29618199
Monoisotopic Mass617.29618199
Topological Polar Surface Area197 Ų
Heavy Atom Count45
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5775754R 87366
HY-19232R-87366

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