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    Arg-3-Hyp-7-Phe-Bradykinin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Npc-567, Npc 567, 109333-26-8, (d-arg0,hyp3,d-phe7)-bradykinin, Dv64b0pleh, Chembl446325
    Molecular Formula
    C60H87N19O13
    Molecular Weight
    1282.5  g/mol
    InChI Key
    RBIXVHPHNGXTCI-QJTYZATASA-N
    FDA UNII
    DV64B0PLEH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
    2.1.2 InChI
    InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1
    2.1.3 InChI Key
    RBIXVHPHNGXTCI-QJTYZATASA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)N2CC(CC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O)O
    2.1.5 Isomeric SMILES
    C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    DV64B0PLEH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bradykinin, Arg(0)-hyp(3)-phe(7)-

    2. Bradykinin, Arg-hyp(3)-phe(7)-

    3. Bradykinin, Arginyl-hydroxyprolyl(3)-phenylalanine(7)-

    4. Npc 567

    5. Npc-567

    2.3.2 Depositor-Supplied Synonyms

    1. Npc-567

    2. Npc 567

    3. 109333-26-8

    4. (d-arg0,hyp3,d-phe7)-bradykinin

    5. Dv64b0pleh

    6. Chembl446325

    7. Chebi:73294

    8. Arg(0)-hyp(3)-phe(7)-bradykinin

    9. [d-arg(0),hyp(3),d-phe(7)]bradykinin

    10. D-arg-arg-pro-hyp-gly-phe-ser-d-phe-phe-arg

    11. D-arginyl-l-arginyl-l-prolyl-(4r)-4-hydroxy-l-prolylglycyl-l-phenylalanyl-l-seryl-d-phenylalanyl-l-phenylalanyl-l-arginine

    12. Bradykinin, Arg-hyp(3)-phe(7)-

    13. Unii-dv64b0pleh

    14. Bradykinin, Arg(0)-hyp(3)-phe(7)-

    15. Bradykinin, Arginyl-hydroxyprolyl(3)-phenylalanine(7)-

    16. Gtpl676

    17. D-arg-(hyp3,d-phe7)bradykinin

    18. [d-arg0,hyp3,d-phe7]bradykinin

    19. Bdbm50435301

    20. Bim 31006

    21. Bim-31006

    22. Bradykinin, N2-d-arginyl-3-(trans-4-hydroxy-l-proline)-7-d-phenylalanine-

    23. Q27088026

    24. Bradykinin, N2-d-arginyl-3-((4r)-4-hydroxy-l-proline)-7-d-phenylalanine-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1282.5 g/mol
    Molecular Formula C60H87N19O13
    XLogP3-5.9
    Hydrogen Bond Donor Count17
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count36
    Exact Mass1281.67307391 g/mol
    Monoisotopic Mass1281.67307391 g/mol
    Topological Polar Surface Area541 Ų
    Heavy Atom Count92
    Formal Charge0
    Complexity2550
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    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

    Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)