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    Chemistry

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    Also known as: 39630-46-1, Glycyltyrosine dihydrate, Glycyl-l-tyrosine dihydrate, L-tyrosine, glycyl-, dihydrate, L-tyrosine, n-glycyl-, dihydrate, (2s)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid;dihydrate
    Molecular Formula
    C11H18N2O6
    Molecular Weight
    274.27  g/mol
    InChI Key
    VELZBUAWAUZDLF-WWPIYYJJSA-N
    FDA UNII
    269373P3AW
    Glycyl Tyrosine
    1 2D Structure

    Glycyl Tyrosine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid;dihydrate
    2.1.2 InChI
    InChI=1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1
    2.1.3 InChI Key
    VELZBUAWAUZDLF-WWPIYYJJSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O.O.O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CN)O.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    269373P3AW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 39630-46-1

    2. Glycyltyrosine Dihydrate

    3. Glycyl-l-tyrosine Dihydrate

    4. L-tyrosine, Glycyl-, Dihydrate

    5. L-tyrosine, N-glycyl-, Dihydrate

    6. (2s)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic Acid;dihydrate

    7. 269373p3aw

    8. (s)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoic Acid Dihydrate

    9. Unii-269373p3aw

    10. Glycyl-l-tyrosin-dihydrat

    11. Glycyl Tyrosine [inci]

    12. Schembl7103036

    13. Glycyl-tyrosine Dihydrate

    14. Dtxsid40192736

    15. Chebi:177941

    16. Hy-w009592a

    17. Cs-15980

    18. Cs-0081927

    19. D74430

    20. Q27254069

    2.4 Create Date
    2012-07-12
    3 Chemical and Physical Properties
    Molecular Weight 274.27 g/mol
    Molecular Formula C11H18N2O6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass274.11648630 g/mol
    Monoisotopic Mass274.11648630 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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