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    Dermorphin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 77614-16-5, H-tyr-d-ala-phe-gly-tyr-pro-ser-nh2, (2s)-n-[(2s)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2s)-2-[[2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide, Chembl278789, 2sec01b703, Tyr-d-ala-phe-gly-tyr-pro-ser-nh2
    Molecular Formula
    C40H50N8O10
    Molecular Weight
    802.9  g/mol
    InChI Key
    FHZPGIUBXYVUOY-VWGYHWLBSA-N
    FDA UNII
    2SEC01B703
    dermorphin is a natural product found in Agalychnis callidryas with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
    2.1.3 InChI Key
    FHZPGIUBXYVUOY-VWGYHWLBSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CO)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)N
    2.1.5 Isomeric SMILES
    C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    2SEC01B703
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dermorphin, (2-l-ala)-isomer

    2. H-tyr-d-ala-phe-gly-tyr-pro-ser-nh2

    3. Tyrosyl-alanyl-phenylalanyl-glycyl-tyrosyl-prolyl-serinamide

    2.3.2 Depositor-Supplied Synonyms

    1. 77614-16-5

    2. H-tyr-d-ala-phe-gly-tyr-pro-ser-nh2

    3. (2s)-n-[(2s)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2s)-2-[[2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide

    4. Chembl278789

    5. 2sec01b703

    6. Tyr-d-ala-phe-gly-tyr-pro-ser-nh2

    7. Dermorphin Acetate

    8. Tyrosyl-alanyl-phenylalanyl-glycyl-tyrosyl-prolyl-serinamide

    9. Unii-2sec01b703

    10. Yafgyps-nh2

    11. Schembl237169

    12. Tyr-ala-phe-gly-tyr-pro-ser

    13. Dtxsid40228281

    14. Chebi:177767

    15. Hy-p0244

    16. Bdbm50059841

    17. Tyr-dala-phe-gly-tyr-pro-ser-nh2

    18. Zinc95548678

    19. C20030

    20. Q1771654

    21. L-serinamide, L-tyrosyl-d-alanyl-l-phenylalanylglycyl-l-tyrosyl-l-prolyl-

    22. (s)-1-[(s)-2-[2-((s)-2-{(r)-2-[(s)-2-amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic Acid ((s)-1-carbamoyl-2-hydroxy-ethyl)-amide

    23. (s)-n-((s)-1-amino-3-hydroxy-1-oxopropan-2-yl)-1-((2s,8s,11r,14s)-14-amino-8-benzyl-2-(4-hydroxybenzyl)-15-(4-hydroxyphenyl)-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)pyrrolidine-2-carboxamide

    24. 1-[2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic Acid (1-carbamoyl-2-hydroxy-ethyl)-amide

    25. 1-[2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic Acid (1-carbamoyl-2-hydroxy-ethyl)-amide (dermorphin)

    26. 1-[2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic Acid (1-carbamoyl-2-hydroxy-ethyl)-amide(dermorphin)

    27. Dermorphin;1-[2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic Acid (1-carbamoyl-2-hydroxy-ethyl)-amide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 802.9 g/mol
    Molecular Formula C40H50N8O10
    XLogP30
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count19
    Exact Mass802.36498982 g/mol
    Monoisotopic Mass802.36498982 g/mol
    Topological Polar Surface Area296 Ų
    Heavy Atom Count58
    Formal Charge0
    Complexity1410
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Analgesics, Opioid

    Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)