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    Chemistry

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    Also known as: 56353-15-2, N-acetylcarnosine, N-acetyl carnosine, (s)-2-(3-acetamidopropanamido)-3-(1h-imidazol-4-yl)propanoic acid, 0tpn86oqif, N-acetyl-beta-alanyl-l-histidine
    Molecular Formula
    C11H16N4O4
    Molecular Weight
    268.27  g/mol
    InChI Key
    BKAYIFDRRZZKNF-VIFPVBQESA-N
    FDA UNII
    0TPN86OQIF
    N-Acetyl-L-Carnosine
    1 2D Structure

    N-Acetyl-L-Carnosine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
    2.1.2 InChI
    InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
    2.1.3 InChI Key
    BKAYIFDRRZZKNF-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    CC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O
    2.1.5 Isomeric SMILES
    CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0TPN86OQIF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cl 1700

    2. N-acetyl-l-carnosine Aluminum

    3. N-acetylcarnosine

    4. N-acetylcarnosine, (dl)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 56353-15-2

    2. N-acetylcarnosine

    3. N-acetyl Carnosine

    4. (s)-2-(3-acetamidopropanamido)-3-(1h-imidazol-4-yl)propanoic Acid

    5. 0tpn86oqif

    6. N-acetyl-beta-alanyl-l-histidine

    7. N-acetyl Camosine

    8. (2s)-2-{[3-(acetylamino)propanoyl]amino}-3-(1h-imidazol-5-yl)propanoic Acid

    9. Can-c

    10. Unii-0tpn86oqif

    11. Canc

    12. (2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoic Acid

    13. L-histidine, N-acetyl-b-alanyl-

    14. N-a-acetyl-n-b-alanyl-l-histidine

    15. Einecs 260-123-2

    16. N-(n-acetyl-beta-alanyl)-l-histidine

    17. Cl 1700

    18. Ac-beta-ala-his-oh

    19. Acetyl Carnosine

    20. Ace Cns

    21. Schembl2513184

    22. Acetyl Carnosine [inci]

    23. Chembl4303521

    24. Chebi:67249

    25. Dtxsid30204897

    26. N-acetylcarnosine [who-dd]

    27. (3-acetamidopropanoyl)-l-histidine

    28. Amy25381

    29. Bcp19530

    30. Zinc2525827

    31. (s)-2-(3-acetamidopropanamido)-3-(1h-imidazol-4-yl)propanoicacid

    32. Mfcd04039376

    33. Akos016001331

    34. Akos025402233

    35. Ac-6754

    36. As-15852

    37. Nalpha-(n-acetyl-beta-alanyl)-l-histidine

    38. Hy-133026

    39. A8090

    40. Cs-0109492

    41. N-(n-acetyl-.beta.-alanyl)histidine

    42. L-histidine, N-acetyl-.beta.-alanyl-

    43. A-1080

    44. 353a152

    45. L-histidine, N-(n-acetyl-.beta.-alanyl)-

    46. Q4673297

    47. W-105525

    48. Histidine, N-(n-acetyl-.beta.-alanyl)-, L-

    49. (s)-2-(3-acetylamino-propionylamino)-3-(3h-imidazol-4-yl)-propionic Acid

    50. (2s)-2-{[3-(acetylamino)propanoyl]amino}-3-(1h-imidazol-5-yl)propanoic Acid, Aldrichcpr

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 268.27 g/mol
    Molecular Formula C11H16N4O4
    XLogP3-1.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass268.11715500 g/mol
    Monoisotopic Mass268.11715500 g/mol
    Topological Polar Surface Area124 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity348
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Export","activeIngredients":"","year":"2021","qtr":"Q3","strtotime":1626546600,"product":"N-ACETYL-L-CARNOSINE","address":"25 BUNDER STREETIIND FLOOR,","city":"CHENNAI","supplier":"AEON FORMULATIONS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"WARSAW","customer":"EMERGOPHARM SP Z O O SP K","customerCountry":"POLAND","quantity":"2.00","actualQuantity":"2","unit":"KGS","unitRateFc":"859.2","totalValueFC":"1661.4","currency":"USD","unitRateINR":61908,"date":"18-Jul-2021","totalValueINR":"123816","totalValueInUsd":"1661.4","indian_port":"MADRAS AIR","hs_no":"29420090","bill_no":"3217864","productDescription":"API","marketType":"REGULATED MARKET","country":"POLAND","selfForZScoreResived":"Pharma Grade","supplierPort":"MADRAS AIR","supplierAddress":"25 BUNDER STREETIIND FLOOR,, CHENNAI","customerAddress":""}]
    18-Jul-2021
    18-Jul-2021
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