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    Technical details about 2592-19-0, learn more about the structure, uses, toxicity, action, side effects and more

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    2592-19-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2592-19-0, N2,n6-di-boc-l-lysine 4-nitrophenyl ester, L-lysine, n2,n6-bis[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester, C22h33n3o8, Mfcd00076961, Boc-l-lys(boc)-onp
    Molecular Formula
    C22H33N3O8
    Molecular Weight
    467.5  g/mol
    InChI Key
    LYUXBTAUKJETMS-KRWDZBQOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl) (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
    2.1.2 InChI
    InChI=1S/C22H33N3O8/c1-21(2,3)32-19(27)23-14-8-7-9-17(24-20(28)33-22(4,5)6)18(26)31-16-12-10-15(11-13-16)25(29)30/h10-13,17H,7-9,14H2,1-6H3,(H,23,27)(H,24,28)/t17-/m0/s1
    2.1.3 InChI Key
    LYUXBTAUKJETMS-KRWDZBQOSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NCCCCC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2592-19-0

    2. N2,n6-di-boc-l-lysine 4-nitrophenyl Ester

    3. L-lysine, N2,n6-bis[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl Ester

    4. C22h33n3o8

    5. Mfcd00076961

    6. Boc-l-lys(boc)-onp

    7. Schembl2109929

    8. N-alpha,n-epsilon-di-boc-l-lysine 4-nitrophenyl Ester

    9. Akos015924120

    10. Akos016002150

    11. Cs-w009635

    12. As-17637

    13. N2,n6-di-boc-l-lysine4-nitrophenylester

    14. F10811

    15. M06186

    16. A818084

    17. Q-101591

    18. (s)-4-nitrophenyl 2,6-bis(tert-butoxycarbonylamino)hexanoate

    19. N-alpha-n-epsilon-di-t-butyloxycarbonyl-l-lysine P-nitrophenyl Ester

    20. 2-pyridyl Methanesulfonate;n2,n6-di-boc-l-lysine 4-nitrophenyl Ester

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 467.5 g/mol
    Molecular Formula C22H33N3O8
    XLogP34
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area149
    Heavy Atom Count33
    Formal Charge0
    Complexity671
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1