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    CAS 16652-76-9

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    CAS 16652-76-9
    Also known as: 16652-76-9, H-val-obzl.tosoh, H-val-obzl p-tosylate, Val-obzl tosoh, L-valine benzyl ester 4-toluenesulfonate, L-valine benzyl ester p-toluenesulfonate
    Molecular Formula
    C19H25NO5S
    Molecular Weight
    379.5  g/mol
    InChI Key
    QWUQVUDPBXFOKF-MERQFXBCSA-N
    1 2D Structure

    CAS 16652-76-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
    2.1.3 InChI Key
    QWUQVUDPBXFOKF-MERQFXBCSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C(C(=O)OCC1=CC=CC=C1)N
    2.1.5 Isomeric SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16652-76-9

    2. H-val-obzl.tosoh

    3. H-val-obzl P-tosylate

    4. Val-obzl Tosoh

    5. L-valine Benzyl Ester 4-toluenesulfonate

    6. L-valine Benzyl Ester P-toluenesulfonate

    7. Val-obzl.tosoh

    8. Benzyl (2s)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic Acid

    9. O-benzyl-l-valine Toluene-p-sulphonate

    10. 4-methylbenzenesulfonate;[(2s)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]azanium

    11. Mfcd00038908

    12. Einecs 240-702-6

    13. H-val-obzl.tos-oh

    14. L-valine Benzyl Ester P-toluenesulfonat Salt

    15. Ec 240-702-6

    16. Schembl3071

    17. L-valin-benzylester Tosylate

    18. L-valine Benzyl Ester Toluene-4-sulfonate

    19. H-val-obzl Inverted Exclamation Mark Currencytosoh

    20. L-valine Benzyl Ester Tosylate

    21. Dtxsid10937212

    22. Benzyl L-valinate P-toluenesulfonate

    23. Valine Benzyl Ester P-toluenesulfonate

    24. Akos015924222

    25. Am82396

    26. Cs-w013883

    27. Ds-13854

    28. (l)-valine-benzyl Ester 4-toluenesulfonate

    29. F11949

    30. L-valine Benzyl Ester P-toluenesulfonic Acid Salt

    31. Valine Benzyl Ester P-toluene-sulfonic Acid Salt

    32. A810745

    33. W-107920

    34. L-valine, Phenylmethyl Ester, 4-methylbenzenesulfonate

    35. 4-methylbenzene-1-sulfonic Acid--benzyl Valinate (1/1)

    36. (s)-benzyl 2-amino-3-methylbutanoate 4-methylbenzenesulfonate

    37. L-valine Benzyl Ester P-toluenesulfonate (h-l-val-obzl.tos)

    38. L-valine Benzyl Ester P-toluenesulfonate Salt, >=98.0% (tlc)

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 379.5 g/mol
    Molecular Formula C19H25NO5S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass379.14534407 g/mol
    Monoisotopic Mass379.14534407 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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                            Valsartan
                            Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...
                            Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.
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                            L-Valine methyl ester hydrochloride

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                            6306-52-1
                            Valsartan
                            Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...
                            Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.
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                            Zhuhai Rundu Pharmaceutical Co.,Ltd

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                              4-BromomethyI-2-cyanobiphenyI

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                              114772-54-2
                              Valsartan
                              Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
                              Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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                                Valsartan Methyl Ester

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                                137863-17-3
                                Valsartan
                                Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
                                Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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                                  N-(2'-CyanobiphenyI-4-yImethyI)-L-vaIine Methyl Ester H...

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                                  482577-59-3
                                  Valsartan
                                  Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise ...
                                  Zhuhai Rundu Pharmaceutical Co., Ltd. is a modern scientific and technological pharmaceutical enterprise integrating drug research and development, production, and sales. It is located in Jinwan District, Zhuhai City, Guangdong Province. It was established in 1999. On January 5, 2018, the company was listed on the Shenzhen Stock Exchange (stock abbreviation: Rundu; stock code: 002923). The company's main business is the research and development, production, and sales of chemical-pharmaceutical preparations, chemical raw materials, and pharmaceutical intermediates. field.
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                                  LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

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