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Chemical structure of 2R,4R-Sacubitril

GC32645

2R,4R-Sacubitril

Also known as 4-[[(2R,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid

2R,4R-Sacubitril is the impurity of Sacubitril

ChemicalCAS766480-48-2MW411.49FormulaC24H29NO5
CAS number
766480-48-2
Molecular weight
411.49
Formula
C24H29NO5
Solubility
DMSO ： 100 mg/mL (243·02 mM; Need ultrasonic)
InChIKey
PYNXFZCZUAOOQC-DYESRHJHSA-N
Catalogue number
GC32645
Brand
GLPBIO
Computed properties PubChem CID 9829628 · XLogP 3.7 · TPSA 92.7 Ų · H-bond donors 2
XLogP
3.7
TPSA
92.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
30

SMILES CCOC(=O)[C@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O

Computed descriptors from PubChem (CID 9829628), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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