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Sacubitrilat 10mg

CAT: 0628-A20882-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20882-10Size:10 mg
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CAS Number
149709-44-4

Chemical Information

Sacubitrilat

A metabolite of LCZ696 with neprilysin inhibitory activity.

CAS Number149709-44-4
PubChem CID10430040
IUPAC Name(2R,4S)-4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
Molecular FormulaC22H25NO5
Molecular Weight383.4
XLogP3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity521
SMILES
C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(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,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
InChIKey
DOBNVUFHFMVMDB-BEFAXECRSA-N
Chemical Structure
2D Structure
2D structure of Sacubitrilat
CAS: 149709-44-4
CID: 10430040
Formula: C22H25NO5
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass383.17327290
Monoisotopic Mass383.17327290
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
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
MBS3612774-01Sacubitrilat
HY-17620R-01Sacubitrilat (Standard)
HY-17620S-01Sacubitrilat-d4
HY-W747097Sacubitrilat-13C4
CS-B-00379Sacubitrilat-d5
HY-78834-01Sacubitrilat impurity 34
HY-Z0059-01Sacubitrilat impurity 32
AR-S09757-01Sacubitrilat Acyl-Glucuronide
AR-S09773-01Sacubitrilat-d4 (LBQ657-d4)
HY-78834RSacubitrilat impurity 34 (Standard)

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