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    CAS 116169-90-5

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    CAS 116169-90-5
    Also known as: 116169-90-5, N2-(1s-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine, N2-(s)-1-ethoxycarbonyl-3-phenylpropyl-n8-trifluoroacetyl-l-lysine, (2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid, N2-[(1s)-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine, N2-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine
    Molecular Formula
    C20H27F3N2O5
    Molecular Weight
    432.4  g/mol
    InChI Key
    YNLDFNVDZZGPHE-HOTGVXAUSA-N
    1 2D Structure

    CAS 116169-90-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C20H27F3N2O5/c1-2-30-18(28)16(12-11-14-8-4-3-5-9-14)25-15(17(26)27)10-6-7-13-24-19(29)20(21,22)23/h3-5,8-9,15-16,25H,2,6-7,10-13H2,1H3,(H,24,29)(H,26,27)/t15-,16-/m0/s1
    2.1.3 InChI Key
    YNLDFNVDZZGPHE-HOTGVXAUSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCNC(=O)C(F)(F)F)C(=O)O
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 116169-90-5

    2. N2-(1s-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine

    3. N2-(s)-1-ethoxycarbonyl-3-phenylpropyl-n8-trifluoroacetyl-l-lysine

    4. (2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic Acid

    5. N2-[(1s)-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine

    6. N2-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine

    7. N2-[(1s)-ethoxycarbony1-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine

    8. N2-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine

    9. Lisinopril Impurity 18

    10. Schembl901542

    11. Dtxsid50437842

    12. Mfcd06658211

    13. Zinc21992208

    14. Akos015888707

    15. Ac-6229

    16. As-15712

    17. Cs-0186155

    18. E77203

    19. 169e905

    20. A803567

    21. J-005805

    22. N2-[(s)-1-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine

    23. N~2~-[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-n~6~-(trifluoroacetyl)-l-lysine

    24. (2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic Acid;n2-(1s-ethoxycarbonyl-3-phenylpropyl)-n6-trifluoroacetyl-l-lysine

    25. (2s)-2-{[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-6-(trifluoroacetamido)hexanoic Acid

    26. (s)-2-(((s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-6-(2,2,2-trifluoroacetamido)hexanoicacid

    27. (s)-2-((s)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)-6-(2,2,2-trifluoroacetamido)hexanoic Acid

    28. Benzenebutanoic Acid, Alpha-[[(1s)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl Ester, (alphas)-

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 432.4 g/mol
    Molecular Formula C20H27F3N2O5
    XLogP31.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count14
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area105
    Heavy Atom Count30
    Formal Charge0
    Complexity551
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      Zeon Pharma Industries India Pvt ltd is an ISO & GMP certified manufacturer & exporter of Bulk drugs / Semi finish formulations & Intermediate and also has a GMP certified Manufacturing facility for Phytochemicals / Herbal extract and Enzymes through our associates.
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      Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...
      Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.
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      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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