ChemSpider 2D Image | Angiotensin II | C50H71N13O12

Angiotensin II

  • Molecular FormulaC50H71N13O12
  • Average mass1046.179 Da
  • Monoisotopic mass1045.534546 Da
  • ChemSpider ID150504
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-amino-3-[(Z)-[(1S)-4-carbamimidamido-1-[(Z)-[(1S)-1-[(Z)-[(1S)-1-[(Z)-[(1S,2S)-1-[(Z)-[(2S)-1-[(2S)-2-[(Z)-[(1S)-1-carboxy-2-phenylethyl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl]-2-methy
(3S,4E,6S,7E,9S,10E,12S,13E,15S,16S)-3-Amino-6-(3-carbamimidamidopropyl)-15-[(E)-{[(2S)-1-{(2S)-2-[(E)-{[(1S)-1-carboxy-2-phenylethyl]imino}(hydroxy)methyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-yl)-1-oxo- 2-propanyl]imino}(hydroxy)methyl]-4,7,10,13-tetrahydroxy-12-(4-hydroxybenzyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,10,13-tetraen-1-oic acid [ACD/IUPAC Name]
(3S,4E,6S,7E,9S,10E,12S,13E,15S,16S)-3-Amino-6-(3-carbamimidamidopropyl)-15-[(E)-{[(2S)-1-{(2S)-2-[(E)-{[(1S)-1-carboxy-2-phenylethyl]imino}(hydroxy)methyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-yl)-1-oxo- 2-propanyl]imino}(hydroxy)methyl]-4,7,10,13-tetrahydroxy-12-(4-hydroxybenzyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,10,13-tetraen-1-säure [German] [ACD/IUPAC Name]
32044-01-2 [RN]
5-isoleucine-angiotensin II
5-L-isoleucine-angiotensin II
Acide (3S,4E,6S,7E,9S,10E,12S,13E,15S,16S)-3-amino-6-(3-carbamimidamidopropyl)-15-[(E)-{[(2S)-1-{(2S)-2-[(E)-{[(1S)-1-carboxy-2-phényléthyl]imino}(hydroxy)méthyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-yl)- 1-oxo-2-propanyl]imino}(hydroxy)méthyl]-4,7,10,13-tétrahydroxy-12-(4-hydroxybenzyl)-9-isopropyl-16-méthyl-5,8,11,14-tétraazaoctadéca-4,7,10,13-tétraén-1-oïque [French] [ACD/IUPAC Name]
Angiotensin II [INN] [USAN]
ANGIOTENSIN II-HUMAN
ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble in water (1 mg/ml) Hello Bio HB3488
      Soluble to 0.30 mg/ml in water Tocris Bioscience 1158
      Soluble to 0.90 mg/ml in 10% acetonitrile / water Tocris Bioscience 1158
      Soluble to 1 mg/ml in water Tocris Bioscience 1158
  • Miscellaneous
    • Chemical Class:

      An amino acid zwitterion that is the dizwitterionic form of Ile(5)-angiotensin II having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. ChEBI CHEBI:58506
      An amino acid zwitterion that is the dizwitterionic form of Ile<smallsup>5</smallsup>-angiotensin II having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain proton ated. ChEBI CHEBI:2719, CHEBI:58506
      An angiotensin II that acts on the central nervous system (PDB entry: 1N9V). ChEBI CHEBI:2719
      An angiotensin II that acts on the central nervous system. ChEBI CHEBI:2719, CHEBI:58506
    • Bio Activity:

      <p>Angiotensin II is a peptide endocrine hormone which is involved in a variety of biological processes.</p> <p><br />Angiotensin II is the primary effector of the RAS (renin-angiotensin system) which is a central component of the physiological/ pathophysiological responses of the cardiovascular system.</p> <p>Stimulation with angiotensin II modulates blood pressure and regulates vasoconstriction and salt/water homeostasis.</p> <p>Angiotensin II is also associated with induction of smooth muscle cell growth.</p> <p>&nbsp;</p> <p><br />Angiotensin II is also involved in the inflammatory process. It is considered a growth factor that regulates cell growth and fibrosis. It increases adhesion molecules, cytokines and chemokines and exerts a proinflammatory effect on various cell types (e.g. leucocytes, endothelial cells and vascular smooth muscle cells).</p> Hello Bio HB3488
      <p>Angiotensin II is a peptide endocrine hormone which is involved in a variety of biological processes.</p> <p><br />Angiotensin II is the primary effector of the RAS (renin-angiotensin system) which is a central component of the physiological/ pathophysiological responses of the cardiovascular system.</p> <p>Stimulation with angiotensin II modulates blood pressure and regulates vasoconstriction and salt/water homeostasis.</p> <p>Angiotensin II is also associated with induction of smooth muscle cell growth.</p> <p>&nbsp;</p> <p><br />Angiotensin II is also involved in the inflammatory process. It is considered a growth factor that regulates cell growth and fibrosis. It increases adhesion molecules, cytokines and chemokines and exerts a proinflammatory effect on various cell types (e.g. leucocytes, endothelial cells and vascular smooth muscle cells).</p> <p>Angiotensin II is also a substrate for ACE2.</p> Hello Bio HB3488
      7-TM Receptors Tocris Bioscience 1158
      Angiotensin Receptors Tocris Bioscience 1158
      Endogenous peptide hormone. Potent vasoconstrictor. Hello Bio HB3488
      Endogenous potent vasoconstrictor peptide. Stimulates the synthesis and release of aldosterone. Tocris Bioscience 1158
      Peptide Receptors Tocris Bioscience 1158
      Potent vasoconstrictor peptide Tocris Bioscience 1158
      Proteins & peptides Hello Bio HB3488
      Receptors & Transporters/Peptide Receptors/Angiotensin Hello Bio HB3488

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 1251.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 195.5±3.0 kJ/mol
Flash Point: 710.4±37.1 °C
Index of Refraction: 1.664
Molar Refractivity: 269.5±0.5 cm3
#H bond acceptors: 25
#H bond donors: 16
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 4
ACD/LogP: 5.72
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 427 Å2
Polarizability: 106.8±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 726.9±7.0 cm3

Click to predict properties on the Chemicalize site






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