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    Technical details about M102, learn more about the structure, uses, toxicity, action, side effects and more

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    M102

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 114873-06-2, Boc-phe(3-me)-oh, Boc-3-methy-l-phenylalanine, (s)-2-((tert-butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid, Boc-d-phe(3-me)-oh, Boc-l-3-methylphenylalanine
    Molecular Formula
    C15H21NO4
    Molecular Weight
    279.33  g/mol
    InChI Key
    HBBXWMALJNZDOM-LBPRGKRZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    2.1.2 InChI
    InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
    2.1.3 InChI Key
    HBBXWMALJNZDOM-LBPRGKRZSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC=C1)CC(C(=O)O)NC(=O)OC(C)(C)C
    2.1.5 Isomeric SMILES
    CC1=CC(=CC=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 114873-06-2

    2. Boc-phe(3-me)-oh

    3. Boc-3-methy-l-phenylalanine

    4. (s)-2-((tert-butoxycarbonyl)amino)-3-(m-tolyl)propanoic Acid

    5. Boc-d-phe(3-me)-oh

    6. Boc-l-3-methylphenylalanine

    7. (2s)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

    8. Schembl16423

    9. Boc-l-3-methyl Phenylalanine

    10. Dtxsid00921524

    11. L-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-

    12. Zinc2386873

    13. Mfcd01862944

    14. Akos015836522

    15. Akos015895346

    16. Ac-9924

    17. Am83421

    18. Cs-w012282

    19. As-14666

    20. Boc-phe(3-me)-oh, >=98.0% (tlc)

    21. 3-methyl-n-(t-butoxycarbonyl)-l-phenylalanine

    22. 73m062

    23. A50146

    24. N-(tert-butoxycarbonyl)-3-methyl-l-phenylalanine

    25. Boc-l-3-methylphenylalanine (boc-l-phe(3-me)-oh)

    26. J-003145

    27. (s)-2-(tert-butoxycarbonylamino)-3-m-tolylpropanoic Acid

    28. N-[tert-butoxy(hydroxy)methylidene]-3-methylphenylalanine

    29. (2s)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic Acid

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 279.33 g/mol
    Molecular Formula C15H21NO4
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass279.14705815 g/mol
    Monoisotopic Mass279.14705815 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity348
    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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