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Chemistry

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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

Angiotensinogen
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

Angiotensinogen

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.)


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