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    Tert-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

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    2D Structure
    Also known as: 160232-08-6, Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate, Tert-butyl n-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate, Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate, Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate
    Molecular Formula
    C19H32N2O3
    Molecular Weight
    336.5  g/mol
    InChI Key
    NVEPLQDORJSXRO-DLBZAZTESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
    2.1.3 InChI Key
    NVEPLQDORJSXRO-DLBZAZTESA-N
    2.1.4 Canonical SMILES
    CC(C)CNCC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
    2.1.5 Isomeric SMILES
    CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 160232-08-6

    2. Tert-butyl [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

    3. Tert-butyl N-[(2s,3r)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

    4. Tert-butyl ((2s,3r)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate

    5. Tert-butyl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

    6. Tert-butyl (2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate

    7. (2r,3s)-3-(boc-amino)-1-(isobutylamino)-4-phenyl-2-butanol

    8. Mfcd15144668

    9. Tert-butyl [(2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate

    10. Ec 605-203-3

    11. Schembl1104912

    12. Amy4348

    13. Dtxsid10432611

    14. Zinc22053590

    15. Akos015895860

    16. Tert-butyl((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

    17. Cs-w006450

    18. Ds-3963

    19. Ac-28968

    20. Carbamic Acid, N-[(1s,2r)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl Ester

    21. B6183

    22. J-009696

    23. J-524379

    24. T-butyl ((2s,3r)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate

    25. Tert-butyl (1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

    26. Tert-butyl(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate

    27. Tert-butyl[(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

    28. (1s,2r)-(1-benzyl-2-hydroxy-3-isobutylamino-propyl)-carbamic Acid Tert-butyl Ester

    29. (1s,2r)-tert-butyl N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

    30. [(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamic Acid Tert-butyl Ester

    31. Tert-butyl N-[(1s,2r)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl]carbamate

    32. [(1s,2r)-3-[(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Tert-butyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 336.5 g/mol
    Molecular Formula C19H32N2O3
    XLogP33.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass336.24129289 g/mol
    Monoisotopic Mass336.24129289 g/mol
    Topological Polar Surface Area70.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity360
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1