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    Trypsin

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    2D Structure
    Also known as: Acetic acid;tert-butyl n-[(2s)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(5-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate, Tryptase from human lung, buffered aqueous solution, >=5 units/mg protein
    Molecular Formula
    C35H47N7O10
    Molecular Weight
    725.8  g/mol
    InChI Key
    WGWZNYKOUXOZTC-NAGNLMCHSA-N
    A family of neutral serine proteases with TRYPSIN-like activity. Tryptases are primarily found in the SECRETORY GRANULES of MAST CELLS and are released during mast cell degranulation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(5-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C33H43N7O8.C2H4O2/c1-19-15-21(17-26-22(19)12-13-27(42)47-26)37-28(43)23(11-8-14-36-31(34)35)38-30(45)25(18-41)39-29(44)24(16-20-9-6-5-7-10-20)40-32(46)48-33(2,3)4;1-2(3)4/h5-7,9-10,12-13,15,17,23-25,41H,8,11,14,16,18H2,1-4H3,(H,37,43)(H,38,45)(H,39,44)(H,40,46)(H4,34,35,36);1H3,(H,3,4)/t23-,24-,25-;/m0./s1
    2.1.3 InChI Key
    WGWZNYKOUXOZTC-NAGNLMCHSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C.CC(=O)O
    2.1.5 Isomeric SMILES
    CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C.CC(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alpha Tryptase

    2. Alpha Tryptases

    3. Alpha-tryptase

    4. Alpha-tryptases

    5. Beta Tryptase

    6. Beta Tryptases

    7. Beta-tryptase

    8. Beta-tryptases

    9. Delta Tryptase

    10. Delta Tryptases

    11. Delta-tryptase

    12. Delta-tryptases

    13. Gamma Tryptase

    14. Gamma Tryptases

    15. Gamma-tryptase

    16. Gamma-tryptases

    17. Mast Cell Tryptase

    18. Skin Tryptase

    19. Tryptase, Skin

    20. Tryptases

    2.2.2 Depositor-Supplied Synonyms

    1. Acetic Acid;tert-butyl N-[(2s)-1-[[(2s)-1-[[(2s)-5-(diaminomethylideneamino)-1-[(5-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

    2. Tryptase From Human Lung, Buffered Aqueous Solution, >=5 Units/mg Protein

    2.2.3 Other Synonyms

    1. Trypsin Complex

    2.3 Create Date
    2005-12-16
    3 Chemical and Physical Properties
    Molecular Weight 725.8 g/mol
    Molecular Formula C35H47N7O10
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count16
    Exact Mass725.33844072 g/mol
    Monoisotopic Mass725.33844072 g/mol
    Topological Polar Surface Area274 Ų
    Heavy Atom Count52
    Formal Charge0
    Complexity1220
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2