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    CAS 361442-00-4

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    CAS 361442-00-4
    Also known as: 361442-00-4, (s)-n-boc-3-hydroxyadamantylglycine, Boc-3-hydroxy-1-adamantyl-d-glycine, (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, Mfcd16660445, (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic acid
    Molecular Formula
    C17H27NO5
    Molecular Weight
    325.4  g/mol
    InChI Key
    UKCKDSNFBFHSHC-ZEJPWUNMSA-N
    1 2D Structure

    CAS 361442-00-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
    2.1.2 InChI
    InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1
    2.1.3 InChI Key
    UKCKDSNFBFHSHC-ZEJPWUNMSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 361442-00-4

    2. (s)-n-boc-3-hydroxyadamantylglycine

    3. Boc-3-hydroxy-1-adamantyl-d-glycine

    4. (2s)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid

    5. Mfcd16660445

    6. (2s)-((tert-butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic Acid

    7. Ec 700-361-0

    8. (s)-2-(boc-amino)-2-(3-hydroxy-1-adamantanyl)acetic Acid

    9. Schembl2110140

    10. Dtxsid60957561

    11. (2s)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic Acid

    12. Bcp02491

    13. (2s)-2-((tert-butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid

    14. Akos016843568

    15. Ds-4349

    16. Ex-7794

    17. Boc-3hydroxy-1admantyl-d- Glycine

    18. Cs-0135316

    19. Tert-butoxycarbonylamino-(3-hydroxyadamantan-1-yl)acetic Acid

    20. (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic Acid

    21. (s)-2-((tert-butoxycarbonyl)amino)-2-((1r,3r,5r,7s)-3-hydroxyadamantan-1-yl)acetic Acid

    22. (2s)-[(tert-butoxycarbonyl)amino]-2-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)acetic Acid

    23. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]-amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

    24. (alphas)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

    25. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1 3,7]decane-1-acetic Acid

    26. (alphas)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic Acid

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 325.4 g/mol
    Molecular Formula C17H27NO5
    XLogP32
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass325.18892296 g/mol
    Monoisotopic Mass325.18892296 g/mol
    Topological Polar Surface Area95.9 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity510
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petrole...
      Cangzhou Enke Pharma Tech Co.,ltd. is located in Cangzhou City, Hebei province ,where is a famous petroleum chemical industry city in China. Enke Pharma a high-tech enterprise ,and we are dedicated to developing and manufacturing new api, intermediates and pharmaceutical fine chemicals. Enke Pharma currently employs more than 20 technical staffs, including 2 doctors and 8 masters . At the same time our company established cooperative production bases in Cangzhou city Hebei province and Fuzhou city Jiangxi province. In addition to our own growing , we ‘d like to provide all-round service to our customers , like custom development, custom production and technical consulting.
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        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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          Hunan Ouya Biological Company locates at Changsha National Biomedical Base; we are pharmaceutical manufacturer with integrated R&D, production and individual sale. Ouya Biological Company has consecutively been identified as Scientific Innovation Enterprise by National Ministry of Science, High and New-Technology Enterprise by Hunan Province and one of Three-hundred Stars Enterprises by Changsha city. Our products have formed the five series step by step, it as the following: 1)Anti-tumor; 2)Anti-cardiovascular; 3)Anti-biotic; 4)Anti-migraine;5)Anti-HBV
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            Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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