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    GC376

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    2D Structure
    Also known as: 1416992-39-6, Gc376, Gc-376, H1nmj5xdg5, Sodium (2s)-2-((s)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate, (betas)-alpha-hydroxy-beta-[[(2s)-4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-2-oxo-3-pyrrolidinepropanesulfonic acid sodium salt
    Molecular Formula
    C21H30N3NaO8S
    Molecular Weight
    507.5  g/mol
    InChI Key
    BSPJDKCMFIPBAW-JPBGFCRCSA-M
    FDA UNII
    H1NMJ5XDG5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
    2.1.2 InChI
    InChI=1S/C21H31N3O8S.Na/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25;/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31);/q;+1/p-1/t15?,16-,17-,20?;/m0./s1
    2.1.3 InChI Key
    BSPJDKCMFIPBAW-JPBGFCRCSA-M
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]
    2.1.5 Isomeric SMILES
    CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    H1NMJ5XDG5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (beta S)-alpha-hydroxy-beta-(((2s)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic Acid

    2. (beta S)-alpha-hydroxy-beta-(((2s)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-3-pyrrolidinepropanesulfonic Acid (1:1) Sodium Salt

    3. Gc 376

    4. Gc-376

    5. Gc-376 Free Acid

    6. Gc376

    7. Sodium (2s)-2-((s)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate

    2.3.2 Depositor-Supplied Synonyms

    1. 1416992-39-6

    2. Gc376

    3. Gc-376

    4. H1nmj5xdg5

    5. Sodium (2s)-2-((s)-2-(((benzyloxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate

    6. (betas)-alpha-hydroxy-beta-[[(2s)-4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-2-oxo-3-pyrrolidinepropanesulfonic Acid Sodium Salt

    7. Sodium;(2s)-1-hydroxy-2-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate

    8. Unii-h1nmj5xdg5

    9. Chembl2315036

    10. Dtxsid001028041

    11. At23091

    12. Cs-6923

    13. As-84675

    14. Hy-100721

    15. A937086

    16. 3-pyrrolidinepropanesulfonic Acid, .alpha.-hydroxy-.beta.-(((2s)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-, Sodium Salt (1:1), (.beta.s)-

    17. 3-pyrrolidinepropanesulfonic Acid, Alpha-hydroxy-beta-(((2s)-4-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-2-oxo-, Sodium Salt (1:1), (betas)-

    18. Sodium (2s)-1-hydroxy-2-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate

    19. Sodium (2s)-2-[(2s)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate

    2.4 Create Date
    2013-06-10
    3 Chemical and Physical Properties
    Molecular Weight 507.5 g/mol
    Molecular Formula C21H30N3NaO8S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count12
    Exact Mass507.16513038 g/mol
    Monoisotopic Mass507.16513038 g/mol
    Topological Polar Surface Area182 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity783
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Protease Inhibitors

    Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)

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