Acetylarginyltryptophyl diphenylglycine

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  • Identifiers

    CAS number
    1334583-93-5

    Molecular formula
    C35H40N8O6

    SMILES
    CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.14%
    Savory 40.67%
    Meaty 30.89%
    Cooling 27.28%
    Cooked 26.35%
    Fishy 21.32%
    Milky 20.27%
    Bitter 19.15%
    Cheesy 18.39%
    Animal 17.8%

     

    Flavor
    Bitter 78.42%
    Odorless 50.98%
    Bland 30.56%
    Mild 22.93%
    Sweet-like 20.64%
    Nitrile 19.64%
    Yeast 18.49%
    Cedarleaf 17.94%
    Heather 17.67%
    Oriental 17.63%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.06 (neutral)

    Molecular weight
    668.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2959°C

    Flash point

    • 337.19 ˚C est.

  • Synonyms

    • Acetylarginyltryptophyl diphenylglycine
    • Relistase
    • 1334583-93-5
    • 9O32SH1GPH
    • Glycine, N2-acetyl-L-arginyl-L-tryptophyl-(2S)-2-phenylglycyl-2-phenyl-, (2S)-
    • RefChem:1076020
    • UNII-9O32SH1GPH
    • Acetylarginyltryptophyl diphenylglycine [INCI]
    • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetyl]amino]-2-phenylacetic acid
    • orb1941577
    • SCHEMBL29417584
    • HY-P5241
    • DA-70506
    • CS-0863824
    • Q27272808
    • 1334583-93-5

  • Applications

    Acetylarginyltryptophyl diphenylglycine, CAS 1334583-93-5, is primarily viewed as a building block for peptidomimetic synthesis and pharmaceutical research, serving as an intermediate for design and SAR analysis. Because it contains amino acid–derived and nonnatural fragments, it can function as part of a peptidomimetic chain or as a derivative to explore biological activity and enzyme inhibition. The compound is also considered in fragrance research as a potential structural component for novel aromatic compounds. Additionally, at the materials research level, it may serve as a scaffold for peptidomimetic applications linked to polymers in biomaterial systems. Practical use will depend on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.46
    methanol 5.92
    isopropanol 1.02
    water 0.16
    ethyl acetate 0.43
    n-propanol 1.47
    acetone 2.69
    n-butanol 0.75
    acetonitrile 0.51
    DMF 27.39
    toluene 0.05
    isobutanol 0.49
    1,4-dioxane 2.12
    methyl acetate 1.2
    THF 5.09
    2-butanone 2.06
    n-pentanol 0.54
    sec-butanol 0.73
    n-hexane 0.01
    ethylene glycol 4.37
    NMP 18.05
    cyclohexane 0.01
    DMSO 32.65
    n-butyl acetate 0.17
    n-octanol 0.15
    chloroform 0.49
    n-propyl acetate 0.38
    acetic acid 9.63
    dichloromethane 0.55
    cyclohexanone 1.38
    propylene glycol 5.74
    isopropyl acetate 0.19
    DMAc 25.92
    2-ethoxyethanol 5.99
    isopentanol 0.29
    n-heptane 0.01
    ethyl formate 1.19
    1,2-dichloroethane 0.38
    n-hexanol 0.13
    2-methoxyethanol 14.84
    isobutyl acetate 0.12
    tetrachloromethane 0.07
    n-pentyl acetate 0.24
    transcutol 4.68
    n-heptanol 0.2
    ethylbenzene 0.03
    MIBK 0.18
    2-propoxyethanol 2.22
    tert-butanol 0.33
    MTBE 0.15
    2-butoxyethanol 1.95
    propionic acid 2.08
    o-xylene 0.03
    formic acid 16.77
    diethyl ether 0.3
    m-xylene 0.02
    p-xylene 0.05
    chlorobenzene 0.07
    dimethyl carbonate 1.25
    n-octane 0.01
    formamide 14.75
    cyclopentanone 4.32
    2-pentanone 0.75
    anisole 0.21
    cyclopentyl methyl ether 0.37
    gamma-butyrolactone 5.02
    1-methoxy-2-propanol 5.83
    pyridine 1.52
    3-pentanone 0.59
    furfural 5.37
    n-dodecane 0.0
    diethylene glycol 3.72
    diisopropyl ether 0.02
    tert-amyl alcohol 0.33
    acetylacetone 1.23
    n-hexadecane 0.0
    acetophenone 0.4
    methyl propionate 0.98
    isopentyl acetate 0.1
    trichloroethylene 0.85
    n-nonanol 0.16
    cyclohexanol 0.25
    benzyl alcohol 0.48
    2-ethylhexanol 0.05
    isooctanol 0.11
    dipropyl ether 0.16
    1,2-dichlorobenzene 0.06
    ethyl lactate 0.75
    propylene carbonate 1.05
    n-methylformamide 9.74
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 1.0
    1-methoxy-2-propyl acetate 0.39
    2-(2-methoxypropoxy) propanol 1.11
    mesitylene 0.01
    ε-caprolactone 1.49
    p-cymene 0.01
    epichlorohydrin 3.38
    1,1,1-trichloroethane 0.1
    2-aminoethanol 4.57
    morpholine-4-carbaldehyde 14.7
    sulfolane 9.81
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.92
    n-hexyl acetate 0.24
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.1
    sec-butyl acetate 0.16
    tert-butyl acetate 0.13
    decalin 0.0
    glycerin 15.82
    diglyme 4.41
    acrylic acid 3.46
    isopropyl myristate 0.06
    n-butyric acid 1.24
    acetyl acetate 0.26
    di(2-ethylhexyl) phthalate 0.13
    ethyl propionate 0.36
    nitromethane 13.49
    1,2-diethoxyethane 0.55
    benzonitrile 0.19
    trioctyl phosphate 0.1
    1-bromopropane 0.13
    gamma-valerolactone 13.53
    n-decanol 0.1
    triethyl phosphate 0.12
    4-methyl-2-pentanol 0.06
    propionitrile 0.37
    vinylene carbonate 1.05
    1,1,2-trichlorotrifluoroethane 7.25
    DMS 0.33
    cumene 0.02
    2-octanol 0.11
    2-hexanone 0.6
    octyl acetate 0.14
    limonene 0.01
    1,2-dimethoxyethane 6.39
    ethyl orthosilicate 0.11
    tributyl phosphate 0.1
    diacetone alcohol 0.77
    N,N-dimethylaniline 0.16
    acrylonitrile 0.82
    aniline 0.24
    1,3-propanediol 5.15
    bromobenzene 0.04
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 0.76
    2-methyl-cyclohexyl acetate 0.09
    tetrabutyl urea 0.28
    diisobutyl methanol 0.02
    2-phenylethanol 0.16
    styrene 0.04
    dioctyl adipate 0.16
    dimethyl sulfate 3.22
    ethyl butyrate 0.19
    methyl lactate 2.75
    butyl lactate 0.6
    diethyl carbonate 0.12
    propanediol butyl ether 2.42
    triethyl orthoformate 0.21
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.36
    morpholine 3.74
    tert-butylamine 0.07
    n-dodecanol 0.06
    dimethoxymethane 5.49
    ethylene carbonate 0.67
    cyrene 2.31
    2-ethoxyethyl acetate 0.64
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.12
    4-methylpyridine 0.72
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.02
    DEF 1.88
    dimethyl isosorbide 0.96
    tetrachloroethylene 0.51
    eugenol 0.62
    triacetin 0.47
    span 80 0.87
    1,4-butanediol 1.87
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.24
    methyl formate 6.87
    2-methyl-1-butanol 0.39
    n-decane 0.01
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.05
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.76
    tetrahydropyran 0.64
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 2.34
    1-hexene 0.07
    2-isopropoxyethanol 1.85
    2,2,2-trifluoroethanol 3.32
    methyl butyrate 0.67

    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