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    Chemistry

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    Also known as: Sacubitril sodium, 149690-05-1, Ahu-377 sodium, Sacubitril (sodium), Mop72gep8z, Sodium;4-[[(2s,4r)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
    Molecular Formula
    C24H28NNaO5
    Molecular Weight
    433.5  g/mol
    InChI Key
    RRTBVEJIZWGATF-JKSHRDEXSA-M
    FDA UNII
    MOP72GEP8Z
    Sacubitril Sodium
    1 2D Structure

    Sacubitril Sodium

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
    2.1.2 InChI
    InChI=1S/C24H29NO5.Na/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);/q;+1/p-1/t17-,21+;/m1./s1
    2.1.3 InChI Key
    RRTBVEJIZWGATF-JKSHRDEXSA-M
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Na+]
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    MOP72GEP8Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sacubitril Sodium

    2. 149690-05-1

    3. Ahu-377 Sodium

    4. Sacubitril (sodium)

    5. Mop72gep8z

    6. Sodium;4-[[(2s,4r)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate

    7. Unii-mop72gep8z

    8. Sacubitril Sodium Salt

    9. Sacubitril Sodium [mi]

    10. Schembl21239956

    11. Dtxsid90164362

    12. Hy-15407b

    13. (1,1'-biphenyl)-4-pentanoic Acid, Gamma-((3-carboxy-1-oxopropyl)amino)-alpha-methyl-, 4-ethyl Ester, Sodium Salt (1:1), (alphar,gammas)-

    14. Cs-0079358

    15. A937423

    16. Q27284149

    17. (1,1'-biphenyl)-4-pentanoic Acid, .gamma.-((3-carboxy-1-oxopropyl)amino)-.alpha.-methyl-, 4-ethyl Ester, Sodium Salt (1:1), (.alpha.r,.gamma.s)-

    18. Sodium 4-(((2s,4r)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 433.5 g/mol
    Molecular Formula C24H28NNaO5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count12
    Exact Mass433.18651728 g/mol
    Monoisotopic Mass433.18651728 g/mol
    Topological Polar Surface Area95.5 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity556
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    09-Feb-2021
    09-Aug-2024
    KGS
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    Quantity (KGS) & Unit rate (USD/KGS) over time

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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