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    Risuteganib

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Risuteganib, Alg-1001, Risuteganib [usan], 1307293-62-4, Alg1001, 123dna66ia
    Molecular Formula
    C22H39N9O11S
    Molecular Weight
    637.7  g/mol
    InChI Key
    MYZAXBZLEILEBR-RVFOSREFSA-N
    FDA UNII
    123DNA66IA
    Risuteganib is under investigation in clinical trial NCT02348918 (Phase 2 Randomized Clinical Trial of Luminate as Compared to Avastin in the Treatment of Diabetic Macular Edema).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-[(2S,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C22H39N9O11S/c1-11(32)17(20(37)31-7-3-5-14(31)21(38)39)30-19(36)13(10-43(40,41)42)29-16(34)9-27-18(35)12(28-15(33)8-23)4-2-6-26-22(24)25/h11-14,17,32H,2-10,23H2,1H3,(H,27,35)(H,28,33)(H,29,34)(H,30,36)(H,38,39)(H4,24,25,26)(H,40,41,42)/t11-,12+,13+,14+,17+/m1/s1
    2.1.3 InChI Key
    MYZAXBZLEILEBR-RVFOSREFSA-N
    2.1.4 Canonical SMILES
    CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CN)O
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
    2.2 Other Identifiers
    2.2.1 UNII
    123DNA66IA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alg-1001

    2. Risuteganib

    2.3.2 Depositor-Supplied Synonyms

    1. Risuteganib

    2. Alg-1001

    3. Risuteganib [usan]

    4. 1307293-62-4

    5. Alg1001

    6. 123dna66ia

    7. Gly-arg-gly-cya-thr-pro

    8. Risuteganib (usan)

    9. Glycyl-l-arginylglycyl-3-sulfo-l-alanyl-l-threonyl-l-proline

    10. L-proline, Glycyl-l-arginylglycyl-3-sulfo-l-alanyl-l-threonyl-

    11. (2s)-1-[(2s,3r)-2-[[(2r)-2-[[2-[[(2s)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic Acid

    12. Risuteganib [inn]

    13. Unii-123dna66ia

    14. Alg-1001 Hexapeptide

    15. Chembl4297529

    16. Schembl19410626

    17. Hy-p1930

    18. Db14911

    19. Cs-0019633

    20. D11436

    2.4 Create Date
    2017-10-07
    3 Chemical and Physical Properties
    Molecular Weight 637.7 g/mol
    Molecular Formula C22H39N9O11S
    XLogP3-8.1
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count17
    Exact Mass637.24897427 g/mol
    Monoisotopic Mass637.24897427 g/mol
    Topological Polar Surface Area347 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1