loader
Please Wait
Applying Filters...

Minakem Generic APIs Minakem Generic APIs

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 149709-60-4, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 149709-60-4

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 149709-60-4, Ethyl (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate, [1,1'-biphenyl]-4-pentanoic acid, gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, ethyl ester, (alphar,gammas)-, Schembl597498, Ambz0402, Dtxsid901121953
    Molecular Formula
    C25H33NO4
    Molecular Weight
    411.5  g/mol
    InChI Key
    LMTIKWPJTDSUPT-GCJKJVERSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate
    2.1.2 InChI
    InChI=1S/C25H33NO4/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20/h7-15,18,22H,6,16-17H2,1-5H3,(H,26,28)/t18-,22+/m1/s1
    2.1.3 InChI Key
    LMTIKWPJTDSUPT-GCJKJVERSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 149709-60-4

    2. Ethyl (2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate

    3. [1,1'-biphenyl]-4-pentanoic Acid, Gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl-, Ethyl Ester, (alphar,gammas)-

    4. Schembl597498

    5. Ambz0402

    6. Dtxsid901121953

    7. Zinc81200505

    8. Am85598

    9. Ac-28989

    10. F19420

    11. Ethyl (alphar,gammas)-gamma-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoate

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 411.5 g/mol
    Molecular Formula C25H33NO4
    XLogP35.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count11
    Exact Mass411.24095853 g/mol
    Monoisotopic Mass411.24095853 g/mol
    Topological Polar Surface Area64.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY