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Sacubitril Impurity G

CAT: 1299-RM-E201907-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E201907-01Size:10 mg
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CAS Number
2459446-54-7
Synonyms
4- ((3R,5S) -5- ([1,1'-biphenyl]-4-ylmethyl) -3-methyl-2-oxopyrrolidin-1-yl) -4-oxobutanoic acid
Molecular Formula
C22H23NO4
Molecular Weight
365.42
Target Alternative Name
Sacubitril
Product Name Synonym
4- ((3R,5S) -5- ([1,1'-biphenyl]-4-ylmethyl) -3-methyl-2-oxopyrrolidin-1-yl) -4-oxobutanoic acid

Chemical Information

4-((3R,5S)-5-([1,1'-Biphenyl]-4-ylmethyl)-3-methyl-2-oxopyrrolidin-1-yl)-4-oxobutanoic acid
CAS Number2459446-54-7
PubChem CID127255951
IUPAC Name4-[(3R,5S)-3-methyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Molecular FormulaC22H23NO4
Molecular Weight365.4
XLogP3.2
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity547
SMILES
C[C@@H]1C[C@H](N(C1=O)C(=O)CCC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO4/c1-15-13-19(23(22(15)27)20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,25,26)/t15-,19+/m1/s1
InChIKey
VWCKXAQRSUUVFU-BEFAXECRSA-N
Chemical Structure
2D Structure
2D structure of 4-((3R,5S)-5-([1,1'-Biphenyl]-4-ylmethyl)-3-methyl-2-oxopyrrolidin-1-yl)-4-oxobutanoic acid
CAS: 2459446-54-7
CID: 127255951
Formula: C22H23NO4
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass365.16270821
Monoisotopic Mass365.16270821
Topological Polar Surface Area74.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity547
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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