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    Dalda

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 0Xls

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    2D Structure
    Also known as: Dalda, 118476-85-0, 68425-36-5, Tyrosyl-arginyl-phenylalanyl-lysinamide, Chembl60444, (2s)-6-amino-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
    Molecular Formula
    C30H45N9O5
    Molecular Weight
    611.7  g/mol
    InChI Key
    UEVAHGMTRWGMTB-JBXUNAHCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
    2.1.2 InChI
    InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
    2.1.3 InChI Key
    UEVAHGMTRWGMTB-JBXUNAHCSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Dalda

    2. Tyr-arg-phe-lys-nh2

    3. Tyrosyl-arginyl-phenylalanyl-lysinamide

    2.2.2 Depositor-Supplied Synonyms

    1. Dalda

    2. 118476-85-0

    3. 68425-36-5

    4. Tyrosyl-arginyl-phenylalanyl-lysinamide

    5. Chembl60444

    6. (2s)-6-amino-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

    7. Tyr-arg-phe-lys-nh2

    8. Cas_122222

    9. Nsc_122222

    10. Hydrogenated Peanut Oil

    11. (d-arg2,lys4)-dermorphin (1-4) Amide

    12. Oils, Peanut, Hydrogenated

    13. Unii-fs8087fl3x

    14. L-lysinamide, L-tyrosyl-d-arginyl-l-phenylalanyl-

    15. Fs8087fl3x

    16. Schembl8975803

    17. Bdbm85737

    18. Dtxsid001045851

    19. Einecs 270-350-9

    20. Bdbm50016867

    21. Mfcd00144042

    22. Zinc14951239

    23. (d-arg2,lys4) Dermorphin Fragment*1-4 Am Ide

    24. (s)-6-amino-2-((s)-2-{(r)-2-[(s)-2-amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoylamino}-3-phenyl-propionylamino)-hexanoic Acid Amide

    25. 6-amino-2-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1s)-ethylcarboxamido]-4-amino(imino)methylamino-(1r)-butylcarboxamido]-2-phenyl-(1s)-ethylcarboxamido]-(2s)-hexanamide

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 611.7 g/mol
    Molecular Formula C30H45N9O5
    XLogP3-0.8
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count19
    Exact Mass611.35436557 g/mol
    Monoisotopic Mass611.35436557 g/mol
    Topological Polar Surface Area267 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity932
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    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.)

    Anti-Arrhythmia Agents

    Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)