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    CAS 1012341-50-2

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 1012341-50-2, (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid, Fj7awx8dmf, (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid, (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic acid, (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
    Molecular Formula
    C23H29NO4
    Molecular Weight
    383.5  g/mol
    InChI Key
    YNELJETWNMPEEH-UZLBHIALSA-N
    FDA UNII
    FJ7AWX8DMF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
    2.1.2 InChI
    InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1
    2.1.3 InChI Key
    YNELJETWNMPEEH-UZLBHIALSA-N
    2.1.4 Canonical SMILES
    CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    FJ7AWX8DMF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1012341-50-2

    2. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic Acid

    3. Fj7awx8dmf

    4. (2r,4s)-5-(biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic Acid

    5. (2r,4s)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

    6. (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic Acid

    7. (2r,4s)-5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid

    8. 5-((1,1'-biphenyl)-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic Acid, (2r,4s)-

    9. Mfcd27955981

    10. (1,1'-biphenyl)-4-pentanoic Acid, Gamma-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-methyl-, (alphar,gammas)-

    11. [1,1'-biphenyl]-4-pentanoic Acid, Gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, (alphar,gammas)-

    12. Unii-fj7awx8dmf

    13. Schembl597902

    14. (2r,4s)-5-(4-biphenylyl)-4-(boc-amino)-2-methylpentanoic Acid

    15. Ambz0395

    16. Dtxsid001123526

    17. Akos027324883

    18. Zinc112971388

    19. Am85444

    20. Ac-28990

    21. Ds-11562

    22. Cs-0009331

    23. A854795

    24. (2r,4s)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methyl-pentanoic Acid

    25. (2r,4s)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoicacid

    26. (2r,4s)-5-(biphenyl-4-yl)-4-(tert-butoxycarbonylamino)-2-methylpentanoic Acid

    27. (1,1'-biphenyl)-4-pentanoic Acid, .gamma.-(((1,1-dimethylethoxy)carbonyl)amino)-.alpha.-methyl-, (.alpha.r,.gamma.s)-

    28. (2r,4s)-5-(biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2- Methylpentanoic Acid Ethyl Ester

    29. (alphar,gammas)-gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoic Acid

    2.4 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 383.5 g/mol
    Molecular Formula C23H29NO4
    XLogP35
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass383.20965841 g/mol
    Monoisotopic Mass383.20965841 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity499
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1