Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu-Gln

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  • Identifiers

    CAS number
    113274-56-9

    Molecular formula
    C66H93N13O25

    SMILES
    CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CN

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.08%
    Savory 42.3%
    Cooling 27.57%
    Meaty 25.31%
    Milky 19.8%
    Cooked 19.68%
    Fishy 17.21%
    Alcoholic 16.53%
    Sweet 15.39%
    Bitter 14.78%

     

    Flavor
    Bitter 67.81%
    Odorless 58.26%
    Bland 34.95%
    Mild 25.28%
    Sweet-like 22.4%
    Very mild 22.21%
    Yeast 19.94%
    Nitrile 19.29%
    Cedarleaf 18.08%
    Oriental 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.5

    pKa est.
    0.4 (strong acid)

    Molecular weight
    1468.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5223°C

    Flash point

    • 440.58 ˚C est.

  • Synonyms

    • RefChem:1085908
    • (2S)-5-amino-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-1-((2S,3S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-aminoacetyl)amino)-3-carboxypropanoyl)amino)-3-phenylpropanoyl)amino)-4-carboxybutanoyl)amino)-4-carboxybutanoyl)amino)-3-methylpentanoyl)pyrrolidine-2-carbonyl)amino)-4-carboxybutanoyl)amino)-4-carboxybutanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoic acid
    • Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu-Gln
    • 113274-56-9
    • Hirudin (54-65) (desulfated)
    • Hirudin (54-65)
    • MFCD00076563
    • Hirudin (54-65
    • H-GLY-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR-LEU-GLN-OH
    • Hirudin (54-65) (desulfated) trifluoroacetate salt
    • Hirudin(54-65)(desulfated)
    • CHEMBL411059
    • orb1909566
    • HY-P1636
    • C66H93N13O25
    • AKOS025311601
    • DA-54005
    • CS-0066098
    • 274H569
    • 113274-56-9

  • Applications

    Chemical name Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu-Gln (CAS 113274-56-9) has applications as a research reagent and analytical standard in proteomics and peptide synthesis, as a model substrate for enzyme assays and binding studies, as a building block or intermediate in pharmaceutical peptide development, in cosmetics and personal care research as an investigative candidate for skin formulation studies, and in laboratory settings as reference material for LC-MS/HPLC calibration and peptide synthesis protocol optimization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.64
    methanol 6.69
    isopropanol 0.58
    water 0.87
    ethyl acetate 0.55
    n-propanol 0.87
    acetone 1.94
    n-butanol 0.39
    acetonitrile 0.72
    DMF 35.86
    toluene 0.09
    isobutanol 0.27
    1,4-dioxane 2.9
    methyl acetate 1.14
    THF 4.07
    2-butanone 1.2
    n-pentanol 0.3
    sec-butanol 0.37
    n-hexane 0.02
    ethylene glycol 5.01
    NMP 39.65
    cyclohexane 0.02
    DMSO 28.25
    n-butyl acetate 0.26
    n-octanol 0.17
    chloroform 0.39
    n-propyl acetate 0.44
    acetic acid 12.03
    dichloromethane 0.52
    cyclohexanone 1.34
    propylene glycol 5.22
    isopropyl acetate 0.25
    DMAc 34.97
    2-ethoxyethanol 5.85
    isopentanol 0.16
    n-heptane 0.02
    ethyl formate 1.29
    1,2-dichloroethane 0.34
    n-hexanol 0.13
    2-methoxyethanol 16.88
    isobutyl acetate 0.14
    tetrachloromethane 0.07
    n-pentyl acetate 0.29
    transcutol 9.57
    n-heptanol 0.19
    ethylbenzene 0.06
    MIBK 0.16
    2-propoxyethanol 3.56
    tert-butanol 0.27
    MTBE 0.17
    2-butoxyethanol 2.72
    propionic acid 2.32
    o-xylene 0.07
    formic acid 31.27
    diethyl ether 0.31
    m-xylene 0.04
    p-xylene 0.09
    chlorobenzene 0.08
    dimethyl carbonate 2.31
    n-octane 0.01
    formamide 27.05
    cyclopentanone 3.74
    2-pentanone 0.58
    anisole 0.33
    cyclopentyl methyl ether 0.55
    gamma-butyrolactone 6.48
    1-methoxy-2-propanol 7.52
    pyridine 1.75
    3-pentanone 0.59
    furfural 9.36
    n-dodecane 0.01
    diethylene glycol 7.03
    diisopropyl ether 0.04
    tert-amyl alcohol 0.26
    acetylacetone 1.44
    n-hexadecane 0.01
    acetophenone 0.56
    methyl propionate 1.26
    isopentyl acetate 0.15
    trichloroethylene 0.77
    n-nonanol 0.18
    cyclohexanol 0.23
    benzyl alcohol 0.48
    2-ethylhexanol 0.06
    isooctanol 0.1
    dipropyl ether 0.26
    1,2-dichlorobenzene 0.08
    ethyl lactate 1.22
    propylene carbonate 1.96
    n-methylformamide 12.96
    2-pentanol 0.16
    n-pentane 0.01
    1-propoxy-2-propanol 1.7
    1-methoxy-2-propyl acetate 0.91
    2-(2-methoxypropoxy) propanol 2.38
    mesitylene 0.02
    ε-caprolactone 1.7
    p-cymene 0.03
    epichlorohydrin 2.99
    1,1,1-trichloroethane 0.1
    2-aminoethanol 4.78
    morpholine-4-carbaldehyde 30.1
    sulfolane 16.59
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.94
    n-hexyl acetate 0.31
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.97
    sec-butyl acetate 0.2
    tert-butyl acetate 0.2
    decalin 0.01
    glycerin 21.41
    diglyme 8.71
    acrylic acid 4.31
    isopropyl myristate 0.09
    n-butyric acid 1.31
    acetyl acetate 0.49
    di(2-ethylhexyl) phthalate 0.19
    ethyl propionate 0.54
    nitromethane 17.66
    1,2-diethoxyethane 0.81
    benzonitrile 0.23
    trioctyl phosphate 0.12
    1-bromopropane 0.1
    gamma-valerolactone 17.02
    n-decanol 0.12
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.05
    propionitrile 0.36
    vinylene carbonate 2.0
    1,1,2-trichlorotrifluoroethane 10.64
    DMS 0.79
    cumene 0.04
    2-octanol 0.1
    2-hexanone 0.47
    octyl acetate 0.18
    limonene 0.03
    1,2-dimethoxyethane 7.27
    ethyl orthosilicate 0.25
    tributyl phosphate 0.15
    diacetone alcohol 0.99
    N,N-dimethylaniline 0.35
    acrylonitrile 0.97
    aniline 0.34
    1,3-propanediol 4.12
    bromobenzene 0.05
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 0.72
    2-methyl-cyclohexyl acetate 0.19
    tetrabutyl urea 0.47
    diisobutyl methanol 0.03
    2-phenylethanol 0.23
    styrene 0.07
    dioctyl adipate 0.25
    dimethyl sulfate 6.61
    ethyl butyrate 0.34
    methyl lactate 4.81
    butyl lactate 0.87
    diethyl carbonate 0.26
    propanediol butyl ether 3.19
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.79
    morpholine 4.42
    tert-butylamine 0.08
    n-dodecanol 0.08
    dimethoxymethane 8.06
    ethylene carbonate 1.16
    cyrene 4.3
    2-ethoxyethyl acetate 0.93
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 0.85
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.03
    DEF 2.52
    dimethyl isosorbide 2.8
    tetrachloroethylene 0.55
    eugenol 1.23
    triacetin 1.17
    span 80 1.49
    1,4-butanediol 1.49
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.14
    methyl formate 9.25
    2-methyl-1-butanol 0.21
    n-decane 0.01
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.64
    tetrahydropyran 0.61
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 5.41
    1-hexene 0.07
    2-isopropoxyethanol 1.8
    2,2,2-trifluoroethanol 6.84
    methyl butyrate 0.83

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction