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,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, mass spec standard

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 099425
    • Chemical Class:

      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. 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]
      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

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

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