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    CAS 144163-85-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 144163-85-9, [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexane, Tert-butyl n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, 0n59f56pq6, A-88820
    Molecular Formula
    C23H32N2O3
    Molecular Weight
    384.5  g/mol
    InChI Key
    UKFHOTNATOJBKZ-ACRUOGEOSA-N
    FDA UNII
    0N59F56PQ6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1
    2.1.3 InChI Key
    UKFHOTNATOJBKZ-ACRUOGEOSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    0N59F56PQ6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 144163-85-9

    2. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester

    3. (2s,3s,5s)-2-amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexane

    4. Tert-butyl N-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

    5. 0n59f56pq6

    6. A-88820

    7. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 1,1-dimethyl Ethyl Ester

    8. Carbamic Acid,[(1s,2s,4s)-4-amino-3-hydroxy-5-phenyl-1-phenylmethyl]pentyl-1,1-dimethylethyl Ester

    9. (2s,4s,5s)-5-amino-2-(boc-amino)-4-hydroxy-1,6-diphenylhexane

    10. 5-tert-butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane, (2s,3s,5s)-

    11. Tert-butyl (2s,4s,5s)-n-(4-amino-1-benzyl-3-hydroxy-5-phenylpentyl)carbamate

    12. Carbamic Acid, N-((1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl Ester

    13. Carbamic Acid, N-[(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl Ester

    14. Unii-0n59f56pq6

    15. Schembl2059435

    16. Dtxsid10932247

    17. Mfcd09833420

    18. Zinc21982299

    19. Akos015841346

    20. Akos015896454

    21. Ds-0823

    22. Cs-0130712

    23. A808183

    24. [2s,3s,5s]-2-amino-3-hydroxy-5-t-butyloxycarbonylamino-1,6-diphenylhexane

    25. Tert-butyl (1s,3s,4s)-1-benzyl-3-hydroxy-5-phenyl-4-amino-pentylcarbamate

    26. Tert-butyl (1s,3s,4s)-4-amino-1-benzyl-3-hydroxy-5-phenylpentylcarbamate

    27. Tert-butyl((2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate

    28. Tert-butyl(1s,3s,4s)-1-benzyl-3-hydroxy-5-phenyl-4-amino-pentylcarbamate

    29. Tert-butyl(1s,3s,4s)-4-amino-1-benzyl-3-hydroxy-5-phenylpentylcarbamate

    30. (2s, 3s, 5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

    31. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1,6-diphenylhexane

    32. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1.6-diphenylhexane

    33. (2s,3s,5s)-2-amino-3-hydroxy-5-(t-butyloxycarbonylamino-1,6-diphenyl-hexane Succinic

    34. (2s,3s,5s)-2-amino-5-[n-(tert-butyloxycarbonyl)amino]-1,6-diphenyl-3-hydroxy Hexane

    35. [(1s,3s,4s)-1-benzyl-3-hydroxy-4-amino-5-phenylpentyl]carbamic Acid Tert-butyl Ester

    36. Tert-butyl Hydrogen (5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbonimidate

    37. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenyl-methyl)pentyl]carbamic Acid 1,1-dimethyl Ethyl Ester

    38. [(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 1,1-dimethylethyl Ester, Aldrichcpr

    2.4 Create Date
    2007-02-05
    3 Chemical and Physical Properties
    Molecular Weight 384.5 g/mol
    Molecular Formula C23H32N2O3
    XLogP33.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass384.24129289 g/mol
    Monoisotopic Mass384.24129289 g/mol
    Topological Polar Surface Area84.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity451
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1