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    Perindopril Arginine

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    2D Structure
    Also known as: Perindopril l-arginine, 612548-45-5, Tft5im1kgb, Chebi:77655, (2s,3as,7as)-1-[(2s)-2-[[(2s)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;(2s)-2-amino-5-(diaminomethylideneamino)pentanoic acid, (2s,3as,7as)-1-((s)-2-(((s)-1-ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1h-indole-2-carboxylic acid compound with (s)-2-amino-5-guanidinopentanoic acid (1:1)
    Molecular Formula
    C25H46N6O7
    Molecular Weight
    542.7  g/mol
    InChI Key
    RYCSJJXKEWBUTI-YDYAIEMNSA-N
    FDA UNII
    TFT5IM1KGB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
    2.1.2 InChI
    InChI=1S/C19H32N2O5.C6H14N4O2/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;7-4(5(11)12)2-1-3-10-6(8)9/h12-16,20H,4-11H2,1-3H3,(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t12-,13-,14-,15-,16-;4-/m00/s1
    2.1.3 InChI Key
    RYCSJJXKEWBUTI-YDYAIEMNSA-N
    2.1.4 Canonical SMILES
    CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.C(CC(C(=O)O)N)CN=C(N)N
    2.1.5 Isomeric SMILES
    CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
    2.2 Other Identifiers
    2.2.1 UNII
    TFT5IM1KGB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Perindopril L-arginine

    2. 612548-45-5

    3. Tft5im1kgb

    4. Chebi:77655

    5. (2s,3as,7as)-1-[(2s)-2-[[(2s)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic Acid;(2s)-2-amino-5-(diaminomethylideneamino)pentanoic Acid

    6. (2s,3as,7as)-1-((s)-2-(((s)-1-ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1h-indole-2-carboxylic Acid Compound With (s)-2-amino-5-guanidinopentanoic Acid (1:1)

    7. L-arginine, (2s,3as,7as)-1-((2s)-2-(((1s)-1-(ethoxycarbonyl)butyl)amino)-1-oxopropyl)octahydro-1h-indole-2-carboxylate (1:1)

    8. Unii-tft5im1kgb

    9. Perindopril (l)-arginine

    10. Perindopril L-arginine Salt

    11. Chembl3544986

    12. Schembl15090777

    13. Dtxsid70210159

    14. Perindopril Arginine [who-dd]

    15. Perindopril Arginine [orange Book]

    16. D11580

    17. Q27147249

    2.4 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 542.7 g/mol
    Molecular Formula C25H46N6O7
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count14
    Exact Mass542.34279783 g/mol
    Monoisotopic Mass542.34279783 g/mol
    Topological Polar Surface Area224 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity700
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2