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    Amino Acids, Branched-Chain

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 308062-69-3, Ganlaoqin, Livact, Nutramin vl1, Bacc, Branched-chain amino acids
    Molecular Formula
    C17H37N3O6
    Molecular Weight
    379.5  g/mol
    InChI Key
    OCUSNPIJIZCRSZ-ZTZWCFDHSA-N
    Amino acids which have a branched carbon chain.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
    2.1.2 InChI
    InChI=1S/2C6H13NO2.C5H11NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h2*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8)/t5-;4-,5-;4-/m000/s1
    2.1.3 InChI Key
    OCUSNPIJIZCRSZ-ZTZWCFDHSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)O)N.CC(C)C(C(=O)O)N
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)O)N.CC(C)C[C@@H](C(=O)O)N.CC(C)[C@@H](C(=O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acid, Branched-chain Amino

    2. Acids, Branched-chain Amino

    3. Amino Acid, Branched-chain

    4. Amino Acids, Branched Chain

    5. Amino Acids, Branched-chain

    6. Branched Chain Amino Acid

    7. Branched-chain Amino Acid

    8. Branched-chain Amino Acids

    2.2.2 Depositor-Supplied Synonyms

    1. 308062-69-3

    2. Ganlaoqin

    3. Livact

    4. Nutramin Vl1

    5. Bacc

    6. Branched-chain Amino Acids

    7. Leucine, Isoleucine And Valine

    8. Isoleucine Mixture With Leucine And Valine

    9. Amino Acids, Branched-chain

    10. Unii-66pzq62ya6

    11. Schembl138874

    12. 66pzq62ya6

    13. 77431-55-1

    14. L-isoleucine Compound With L-leucine And L-valine (1:1:1)

    15. (2s)-2-amino-3-methylbutanoic Acid;(2s)-2-amino-4-methylpentanoic Acid;(2s,3s)-2-amino-3-methylpentanoic Acid

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 379.5 g/mol
    Molecular Formula C17H37N3O6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass379.26823591 g/mol
    Monoisotopic Mass379.26823591 g/mol
    Topological Polar Surface Area190 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity295
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3