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    Technical details about CAS 154212-61-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 154212-61-0

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

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    2D Structure
    1. Also known as: 154212-61-0, N-[2-isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-l-valine, (s)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid, (2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid, (((2-isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-l-valine, 10433tzp2u
    Molecular Formula
    C14H23N3O3S
    Molecular Weight
    313.42  g/mol
    InChI Key
    OSQWRZICKAOBFA-NSHDSACASA-N
    FDA UNII
    10433TZP2U
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid
    2.1.2 InChI
    InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1
    2.1.3 InChI Key
    OSQWRZICKAOBFA-NSHDSACASA-N
    2.1.4 Canonical SMILES
    CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)O
    2.1.5 Isomeric SMILES
    CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    10433TZP2U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 154212-61-0

    2. N-[2-isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-l-valine

    3. (s)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic Acid

    4. (2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic Acid

    5. (((2-isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-l-valine

    6. 10433tzp2u

    7. N-[[n-methyl-n-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-l-valine Carboxylic Acid

    8. L-valine, N-((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)-

    9. (2s)-3-methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoic Acid

    10. (2s)-3-methyl-2-[[methyl[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]amino]butanoic Acid

    11. Ritonavir Impurity A [ep]

    12. Unii-10433tzp2u

    13. N-((n-methyl-n-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-l-valine

    14. Ritonavir Impurity, Ureidovaline- [usp]

    15. Schembl1389204

    16. N-[[n-methyl-n-[(2-isopropyl-4-thiazolyl)methyl]amino]carbonyl]-l-valine

    17. Dtxsid30165570

    18. Bcp11230

    19. Mfcd07369527

    20. Zinc22008472

    21. Akos015896181

    22. Ac-4344

    23. Ds-1850

    24. (2s)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanoic Acid

    25. Ritonavir Impurity A [ep Impurity]

    26. 212i610

    27. A809509

    28. J-502162

    29. Q27251101

    30. Ritonavir Impurity, Ureidovaline- [usp Impurity]

    31. N-[2-isopropylthiazol-4-ylmethyl-(methyl)carbamoyl]-l-valine

    32. N-[n-(2-isopropyl-4-thiazolylmethyl)-n-methylcarbamoyl]-l-valine

    33. N-((n-methyl-n-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-l-valine

    34. N-[[[(2-isopropyl-4-thiazolyl)methyl](methyl)amino]carbonyl]-l-valine

    35. N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-l-valine

    36. (r)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic Acid

    37. (s)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methyl Butanoic Acid

    38. 2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoic Acid;n-[2-isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-l-valine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 313.42 g/mol
    Molecular Formula C14H23N3O3S
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass313.14601278 g/mol
    Monoisotopic Mass313.14601278 g/mol
    Topological Polar Surface Area111 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity377
    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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