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    Angiotensinogen

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 64315-16-8, Angiotensinogen (1-14), porcine, Renin substrate tetradecapeptide porcine, >=97% (hplc), Angiotensinogen from porcine plasma, lyophilized powder, 1,500-3,000 units/g protein
    Molecular Formula
    C85H123N21O20
    Molecular Weight
    1759.0  g/mol
    InChI Key
    XJFQCYIFOWHHFN-UHFFFAOYSA-N
    An alpha-globulin of about 453 amino acids, depending on the species. It is produced by the liver in response to lowered blood pressure and secreted into blood circulation. Angiotensinogen is the inactive precursor of the ANGIOTENSINS produced in the body by successive enzyme cleavages. Cleavage of angiotensinogen by RENIN yields the decapeptide ANGIOTENSIN I. Further cleavage of angiotensin I (by ANGIOTENSIN CONVERTING ENZYME) yields the potent vasoconstrictor octapeptide ANGIOTENSIN II; and then, via other enzymes, other angiotensins also involved in the hemodynamic-regulating RENIN-ANGIOTENSIN SYSTEM.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-amino-4-[[5-carbamimidamido-1-[[1-[[1-[[1-[[1-[2-[[1-[[1-[[1-[[1-[[1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C85H123N21O20/c1-11-48(10)70(105-78(119)62(35-51-23-27-55(109)28-24-51)100-80(121)68(46(6)7)103-72(113)57(19-15-29-91-85(87)88)94-71(112)56(86)38-67(110)111)82(123)101-64(37-53-40-90-43-93-53)83(124)106-30-16-20-66(106)79(120)98-60(33-49-17-13-12-14-18-49)74(115)97-63(36-52-39-89-42-92-52)76(117)95-58(31-44(2)3)73(114)96-59(32-45(4)5)77(118)104-69(47(8)9)81(122)99-61(34-50-21-25-54(108)26-22-50)75(116)102-65(41-107)84(125)126/h12-14,17-18,21-28,39-40,42-48,56-66,68-70,107-109H,11,15-16,19-20,29-38,41,86H2,1-10H3,(H,89,92)(H,90,93)(H,94,112)(H,95,117)(H,96,114)(H,97,115)(H,98,120)(H,99,122)(H,100,121)(H,101,123)(H,102,116)(H,103,113)(H,104,118)(H,105,119)(H,110,111)(H,125,126)(H4,87,88,91)
    2.1.3 InChI Key
    XJFQCYIFOWHHFN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Hypertensinogen

    2. Proangiotensin

    3. Renin Substrate

    4. Renin Substrate Tetradecapeptide

    5. Renin-substrate

    6. Serpin A8

    7. Serpina8

    8. Tetradecapeptide, Renin Substrate

    2.2.2 Depositor-Supplied Synonyms

    1. 64315-16-8

    2. Angiotensinogen (1-14), Porcine

    3. Renin Substrate Tetradecapeptide Porcine, >=97% (hplc)

    4. Angiotensinogen From Porcine Plasma, Lyophilized Powder, 1,500-3,000 Units/g Protein

    2.3 Create Date
    2007-07-04
    3 Chemical and Physical Properties
    Molecular Weight 1759.0 g/mol
    Molecular Formula C85H123N21O20
    XLogP30.8
    Hydrogen Bond Donor Count23
    Hydrogen Bond Acceptor Count24
    Rotatable Bond Count52
    Exact Mass1757.92532540 g/mol
    Monoisotopic Mass1757.92532540 g/mol
    Topological Polar Surface Area650 Ų
    Heavy Atom Count126
    Formal Charge0
    Complexity3610
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count15
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Serine Proteinase Inhibitors

    Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)