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    Technical details about TRV027, learn more about the structure, uses, toxicity, action, side effects and more

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    TRV027

    DEVELOPMENTS

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Trv-120027, Trv027, Trv120027, Trv-027, Unii-j1j4p3pqzd, 1234510-46-3
    Molecular Formula
    C43H67N13O10
    Molecular Weight
    926.1  g/mol
    InChI Key
    XIEWFECSPPTVQN-KMIMAYJXSA-N
    FDA UNII
    J1J4P3PQZD
    TRV120027 has been used in trials studying the treatment of Heart Failure and Kidney Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
    2.1.2 InChI
    InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1
    2.1.3 InChI Key
    XIEWFECSPPTVQN-KMIMAYJXSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
    2.2 Other Identifiers
    2.2.1 UNII
    J1J4P3PQZD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sar-arg-val-tyr-ile-his-pro-ala-oh

    2. Sarcosine-arginyl-valyl-tyrosyl-isoleucyl-histidyl-prolyl-alanine

    3. Trv 027

    4. Trv-027

    5. Trv-120027

    6. Trv027

    7. Trv120027

    2.3.2 Depositor-Supplied Synonyms

    1. Trv-120027

    2. Trv027

    3. Trv120027

    4. Trv-027

    5. Unii-j1j4p3pqzd

    6. 1234510-46-3

    7. Trv 027

    8. J1j4p3pqzd

    9. Trv 120027

    10. Sar-val-tyr-ile-his-pro-d-ala-oh

    11. Gtpl6902

    12. Chembl4297447

    13. Trv 027 [who-dd]

    14. Hy-p2141

    15. Db12199

    16. Cs-0109050

    17. Q27281029

    18. (2r)-2-[[(2s)-1-[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic Acid

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 926.1 g/mol
    Molecular Formula C43H67N13O10
    XLogP3-2.3
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count26
    Exact Mass925.51338539 g/mol
    Monoisotopic Mass925.51338539 g/mol
    Topological Polar Surface Area358 Ų
    Heavy Atom Count66
    Formal Charge0
    Complexity1690
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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