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2R,4R-Sacubitril

CAT: 0931-T19111-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19111-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
766480-48-2
Target
Drug Metabolite, Others
Related Pathways
Others, Metabolism
Bioactivity
2R,4R-Sacubitril is an impurity of Sacubitril, which is used in combination with valsartan for the treatment of patients with heart failure.
Smiles
CCOC(=O)[C@H](C)C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O
Molecular Formula
C24H29NO5
Molecular Weight
411.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2R,4R-Sacubitril
CAS Number766480-48-2
PubChem CID9829628
IUPAC Name4-[[(2R,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC24H29NO5
Molecular Weight411.5
XLogP3.7
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity550
SMILES
CCOC(=O)[C@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
InChI
InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21-/m1/s1
InChIKey
PYNXFZCZUAOOQC-DYESRHJHSA-N
Chemical Structure
2D Structure
2D structure of 2R,4R-Sacubitril
CAS: 766480-48-2
CID: 9829628
Formula: C24H29NO5
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass411.20457303
Monoisotopic Mass411.20457303
Topological Polar Surface Area92.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count2
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
BA7368-5.12R,4R-Sacubitril
421771-01(2R,4R) -Sacubitril
MBS3845007-012R, 4R-Sacubitril
TRC-S080910-1MG(2R,4R)-Sacubitril
A20564-102R,4R-Sacubitril 10mg
A20564-502R,4R-Sacubitril 50mg
AR-S11172-01Sacubitril (2R,4R) Isomer
A20564-52R,4R-Sacubitril 5mg
A20564-12R,4R-Sacubitril 1mg
A20564-10mM-D2R,4R-Sacubitril 10mM * 1mL in DMSO

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