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    Valiltramiprosate

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    2D Structure
    Also known as: Alz-801, 1034190-08-3, Blu8499, Nrm8499, Blu-8499, Nrm-8499
    Molecular Formula
    C8H18N2O4S
    Molecular Weight
    238.31  g/mol
    InChI Key
    NRZRFNYKMSAZBI-ZETCQYMHSA-N
    FDA UNII
    GHG2B47067
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid
    2.1.2 InChI
    InChI=1S/C8H18N2O4S/c1-6(2)7(9)8(11)10-4-3-5-15(12,13)14/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,12,13,14)/t7-/m0/s1
    2.1.3 InChI Key
    NRZRFNYKMSAZBI-ZETCQYMHSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)NCCCS(=O)(=O)O)N
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)NCCCS(=O)(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    GHG2B47067
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-propanesulfonic Acid, 3-((2-amino-3-methyl-1-oxobutyl)amino)-

    2. 3-(l-valyl) Amino-1-propanesulfonic Acid

    3. 3-(valylamino)-1-propanesulfonic Acid

    4. Alz-801

    2.3.2 Depositor-Supplied Synonyms

    1. Alz-801

    2. 1034190-08-3

    3. Blu8499

    4. Nrm8499

    5. Blu-8499

    6. Nrm-8499

    7. (s)-3-(2-amino-3-methylbutanamido)propane-1-sulfonic Acid

    8. Valiltramiprosate [usan]

    9. Ghg2b47067

    10. 3-[(2s)-2-amino-3-methylbutanamido]propane-1-sulfonic Acid

    11. Valiltramiprosate

    12. Unii-ghg2b47067

    13. Valiltramiprosate [inn]

    14. Chembl4650301

    15. Schembl13944044

    16. Who 11912

    17. 3-(valylamino)-1-propanesulfonic Acid

    18. Hy-117259

    19. Cs-0064594

    20. 1-propanesulfonic Acid, 3-((2-amino-3-methyl-1-oxobutyl)amino)-

    21. 3-((2s)-2-amino-3-methylbutamido)propane-1-sulfonic Acid

    22. 3-[[(2s)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic Acid

    2.4 Create Date
    2008-10-27
    3 Chemical and Physical Properties
    Molecular Weight 238.31 g/mol
    Molecular Formula C8H18N2O4S
    XLogP3-3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass238.09872823 g/mol
    Monoisotopic Mass238.09872823 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity294
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1