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    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

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    Bora Pharmaceuticals- Making success more certain.

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    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

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    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    Axplora- The partner of choice for complex APIs.

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    Chemistry

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    Also known as: 188404-33-3, Methyl (2s)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate, Methyl 4-amino-n-(butoxycarbonyl)phenylalaninate, Schembl7495527, Zinc2029399, 404m333
    Molecular Formula
    C15H22N2O4
    Molecular Weight
    294.35  g/mol
    InChI Key
    RPGKNZIGMYPYML-ZDUSSCGKSA-N
    CAS 188404-33-3
    1 2D Structure

    CAS 188404-33-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate
    2.1.2 InChI
    InChI=1S/C15H22N2O4/c1-3-4-9-21-15(19)17-13(14(18)20-2)10-11-5-7-12(16)8-6-11/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,19)/t13-/m0/s1
    2.1.3 InChI Key
    RPGKNZIGMYPYML-ZDUSSCGKSA-N
    2.1.4 Canonical SMILES
    CCCCOC(=O)NC(CC1=CC=C(C=C1)N)C(=O)OC
    2.1.5 Isomeric SMILES
    CCCCOC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 188404-33-3

    2. Methyl (2s)-3-(4-aminophenyl)-2-(butoxycarbonylamino)propanoate

    3. Methyl 4-amino-n-(butoxycarbonyl)phenylalaninate

    4. Schembl7495527

    5. Zinc2029399

    6. 404m333

    2.3 Create Date
    2005-07-12
    3 Chemical and Physical Properties
    Molecular Weight 294.35 g/mol
    Molecular Formula C15H22N2O4
    XLogP31.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area90.6
    Heavy Atom Count21
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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