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    (S)-Methyl 2-((S)-4-Methyl-2-((S)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMido)-3-phenylpropanoate

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    2D Structure
    Also known as: 1140908-89-9, (alphas)-alpha-[[2-(4-morpholinyl)acetyl]amino]benzenebutanoyl-l-leucyl-l-phenylalanine methyl ester, C32h44n4o6, Carfilzomib methoxide, Methyl (2s)-2-[[(2s)-4-methyl-2-[[(2s)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate, Mfcd31692649
    Molecular Formula
    C32H44N4O6
    Molecular Weight
    580.7  g/mol
    InChI Key
    YXDNWVZKBKEJEH-KCHLEUMXSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
    2.1.2 InChI
    InChI=1S/C32H44N4O6/c1-23(2)20-27(31(39)35-28(32(40)41-3)21-25-12-8-5-9-13-25)34-30(38)26(15-14-24-10-6-4-7-11-24)33-29(37)22-36-16-18-42-19-17-36/h4-13,23,26-28H,14-22H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t26-,27-,28-/m0/s1
    2.1.3 InChI Key
    YXDNWVZKBKEJEH-KCHLEUMXSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (none)

    2.2.2 Depositor-Supplied Synonyms

    1. 1140908-89-9

    2. (alphas)-alpha-[[2-(4-morpholinyl)acetyl]amino]benzenebutanoyl-l-leucyl-l-phenylalanine Methyl Ester

    3. C32h44n4o6

    4. Carfilzomib Methoxide

    5. Methyl (2s)-2-[[(2s)-4-methyl-2-[[(2s)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate

    6. Mfcd31692649

    7. Schembl10083436

    8. Hy-i0775

    9. Akos032946432

    10. Cs-15213

    11. Da-48858

    12. Pd196192

    13. Cs-0010244

    14. (s)-methyl2-((s)-4-methyl-2-((s)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoate

    15. Methyl (2s)-2-[[(2s)-4-methyl-2-[[(2s)-2-[(2-morpholinoacetyl)amino]-4-phenyl-butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoate

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 580.7 g/mol
    Molecular Formula C32H44N4O6
    XLogP33.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count16
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area126
    Heavy Atom Count42
    Formal Charge0
    Complexity850
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1