Products for Research Use Only
RegisterLogin

Sacubitril - Bio-X TM

CAT: 0926-FB71505Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FB71505Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
149709-62-6
Synonyms
(2R,4S) -4-[ (3-Carboxy-1-oxopropyl) amino]-4-[ (p-phenylphenyl) methyl]-2-methylbutanoic acid ethyl ester; AHU-377; Sacubitril
MDL Number
MFCD00920862
Smiles
C ([C@H] (C[C@H] (C (OCC) =O) C) NC (CCC (O) =O) =O) C1=CC=C (C=C1) C2=CC=CC=C2
Molecular Formula
C24H29NO5
Molecular Weight
411.49 g/mol
Controlled
No

Chemical Information

Sacubitril

Sacubitril is a member of biphenyls.

CAS Number149709-62-6
PubChem CID9811834
IUPAC Name4-[[(2S,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-UTKZUKDTSA-N
Chemical Structure
2D Structure
2D structure of Sacubitril
CAS: 149709-62-6
CID: 9811834
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

Related Products

CatalogName
FS16327Sphingosine - Bio-X TM
FE22688Nateglinide - Bio-X TM
BS166205Sulindac - Bio-X TM
BR300120Rosavin - Bio-X TM
BR300119Rhynchophylline - Bio-X TM
BR164364Roflumilast - Bio-X TM
BR164349Risperidone - Bio-X TM
BR164312Raltegravir - Bio-X TM
BP300112Pleconaril - Bio-X TM
BP166248Piracetam - Bio-X TM

Alternative Products

CatalogName
474194TAK 285 - Bio-X
T4574-01Sacubitril
HY-15407R-01Sacubitril (Standard)
329600Sacubitril sodium
HY-15407B-01Sacubitril (sodium)
HY-18204A-01Sacubitril/Valsartan
RM-E201916-01Sacubitril-D4
RM-E201928-01Desethyl Sacubitril
RM-E201901-01Sacubitril Impurity A
BUP00582-01Sacubitril Enantiomer

Popular Products