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    Chemistry

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    Also known as: 616204-22-9, Acetyl hexapeptide, Argireline acetate, Argireline acetate anti-aging cosmetic peptide, Schembl223824, (4s)-4-acetamido-5-[[(2s)-1-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
    Molecular Formula
    C34H60N14O12S
    Molecular Weight
    889.0  g/mol
    InChI Key
    RJZNPROJTJSYLC-LLINQDLYSA-N
    Argireline
    1 2D Structure

    Argireline

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C34H60N14O12S/c1-17(49)43-20(8-11-25(51)52)29(57)47-22(9-12-26(53)54)31(59)48-23(13-16-61-2)32(60)46-21(7-10-24(35)50)30(58)45-19(6-4-15-42-34(39)40)28(56)44-18(27(36)55)5-3-14-41-33(37)38/h18-23H,3-16H2,1-2H3,(H2,35,50)(H2,36,55)(H,43,49)(H,44,56)(H,45,58)(H,46,60)(H,47,57)(H,48,59)(H,51,52)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t18-,19-,20-,21-,22-,23-/m0/s1
    2.1.3 InChI Key
    RJZNPROJTJSYLC-LLINQDLYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N
    2.1.5 Isomeric SMILES
    CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ac-eemqrr-nh2

    2. Acetyl Hexapeptide-8

    3. Acetyl-glutamyl-glutamyl-methionyl-glutaminyl-arginyl-argininamide

    2.2.2 Depositor-Supplied Synonyms

    1. 616204-22-9

    2. Acetyl Hexapeptide

    3. Argireline Acetate

    4. Argireline Acetate Anti-aging Cosmetic Peptide

    5. Schembl223824

    6. (4s)-4-acetamido-5-[[(2s)-1-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic Acid

    7. (6s,9s,12s,15s,18s,21s)-21-acetamido-1-amino-12-(3-amino-3-oxopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-(3-guanidinopropyl)-1-imino-15-(2-(methylthio)ethyl)-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazatetracosan-24-oic Acid

    8. N-acetyl-l-alpha-glutamyl-l-alpha-glutamyl-l-methionyl-l-glutaminyl-l-arginyl-l-argininamide

    9. Schembl22265244

    10. Argireline(acetyl Hexapeptide-3)

    11. Molport-009-194-173

    12. Amy25367

    13. Ex-a6258

    14. Hy-p0033

    15. Ac8712

    16. Akos015994631

    17. Zinc169719042

    18. Cs-5101

    19. Hs-2002

    20. Ac-28736

    21. 204a229

    22. A868667

    23. J-700142

    24. Q-200583

    25. Ac-glu-glu-met-glu-arg-arg-nh2;n-acetyl-l-alpha-glutamyl-l-alpha-glutamyl-l-methionyl-l-glutaminyl-l-arginyl-l-argininamide

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 889.0 g/mol
    Molecular Formula C34H60N14O12S
    XLogP3-6.3
    Hydrogen Bond Donor Count14
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count32
    Exact Mass888.42358458 g/mol
    Monoisotopic Mass888.42358458 g/mol
    Topological Polar Surface Area490 Ų
    Heavy Atom Count61
    Formal Charge0
    Complexity1610
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    26-Feb-2021
    13-Aug-2024
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