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

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    Tetragastrin

    APIs // Active Pharmaceutical Ingredients

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Temad- We think of world-class quality.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as:
    Molecular Formula
    C29H36N6O6S
    Molecular Weight
    596.7  g/mol
    InChI Key
    RGYLYUZOGHTBRF-YARHKQPVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22?,23-,24-/m0/s1
    2.1.3 InChI Key
    RGYLYUZOGHTBRF-YARHKQPVSA-N
    2.1.4 Canonical SMILES
    CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N
    2.1.5 Isomeric SMILES
    CSCCC(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
    2.2 Create Date
    2014-03-02
    3 Chemical and Physical Properties
    Molecular Weight 596.7 g/mol
    Molecular Formula C29H36N6O6S
    XLogP3-2.1
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count16
    Exact Mass596.24170406 g/mol
    Monoisotopic Mass596.24170406 g/mol
    Topological Polar Surface Area235 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity948
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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