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    (S)-Benzyl 2-((((9H-Fluoren-9-Yl)Methoxy)Carbonyl)Amino)-3-Hydroxypropanoate

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    2D Structure
    Also known as: 73724-46-6, Fmoc-ser-obzl, Fmoc-l-ser-obzl, Benzyl (2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate, Fmoc-l-serine benzyl ester, L-serine,n-[(9h-fluoren-9-ylmethoxy)carbonyl]-, phenylmethyl ester
    Molecular Formula
    C25H23NO5
    Molecular Weight
    417.5  g/mol
    InChI Key
    GXJVEJVEJKIXCH-QHCPKHFHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
    2.1.2 InChI
    InChI=1S/C25H23NO5/c27-14-23(24(28)30-15-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23,27H,14-16H2,(H,26,29)/t23-/m0/s1
    2.1.3 InChI Key
    GXJVEJVEJKIXCH-QHCPKHFHSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC(=O)C(CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)COC(=O)[C@H](CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73724-46-6

    2. Fmoc-ser-obzl

    3. Fmoc-l-ser-obzl

    4. Benzyl (2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate

    5. Fmoc-l-serine Benzyl Ester

    6. L-serine,n-[(9h-fluoren-9-ylmethoxy)carbonyl]-, Phenylmethyl Ester

    7. Schembl13402442

    8. Dtxsid101173017

    9. L-serine, N-[(9h-fluoren-9-ylmethoxy)carbonyl]-, Phenylmethyl Ester

    10. Mfcd09752867

    11. Zinc38530108

    12. Akos015924460

    13. Cs-w022731

    14. Ds-3694

    15. Hy-w041991

    16. I11515

    17. N-(9-fluorenylmethoxycarbonyl)-l-serine Benzyl Ester

    18. N-(9h-fluorene-9-ylmethoxycarbonyl)-l-serine Benzyl Ester

    19. N-alpha-(9-fluorenylmethyloxycarbonyl)-l-serine Benzyl Ester

    20. N-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-serine Phenylmethyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 417.5 g/mol
    Molecular Formula C25H23NO5
    XLogP33.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass417.15762283 g/mol
    Monoisotopic Mass417.15762283 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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