ChemSpider 2D Image | Sarafotoxin S6c | C103H147N27O37S5

Sarafotoxin S6c

  • Molecular FormulaC103H147N27O37S5
  • Average mass2515.753 Da
  • Monoisotopic mass2513.905518 Da
  • ChemSpider ID25069751

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

121695-87-2 [RN]
L-Tryptophan, N-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-22,42-bis(2-amino-2-oxoethyl)-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-met hylpropyl)-16-[2-(methylthio)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-39-(phenylmethyl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpe ntacont-36-yl]carbonyl]-L-histidyl-L-glutami [ACD/Index Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-22,42-bis(2-amino-2-oxoethyl)-39-benzyl-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-isobutyl-1 ;6-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacont-36-yl}carbonyl)-L- 
histidyl-L-glutaminyl-L-α-asparagyl-L-va [German] [ACD/IUPAC Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-22,42-bis(2-amino-2-oxoethyl)-39-benzyl-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-isobutyl-1 ;6-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacont-36-yl}carbonyl)-L- 
histidyl-L-glutaminyl-L-α-aspartyl-L-val [ACD/IUPAC Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-22,42-bis(2-amino-2-oxoéthyl)-39-benzyl-4,7-bis(2-carboxyéthyl)-10,19-bis(carboxyméthyl)-13,28-bis(1-hydroxyéthyl)-45-isobutyl-1 ;6-[2-(méthylsulfanyl)éthyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tétradécaoxo-33,34,49,50-tétrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tétradécaazabicyclo[23.22.4]hénpentacont-36-yl}carbonyl)-L- 
histidyl-L-glutaminyl-L-α-aspartyl-L-val [French] [ACD/IUPAC Name]
Sarafotoxin S6c
[121695-87-2] [RN]
MFCD00161501
RuBi-GABA-PMe3 |
Sarafotoxin S 6c (9CI)
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      <p>Selective ET<sub>B</sub> receptor agonist (K<sub>i</sub> values are 0.29 nM and 2.8 &micro;M at ET<sub>B</sub> and ET<sub>A</sub> receptors respectively).</p> Hello Bio HB3533
      7-TM Receptors Tocris Bioscience 1175
      Endothelin Receptors Tocris Bioscience 1175
      Highly selective ETB endothelin receptor agonist (Ki values are 0.29 and 28000 nM at ETB and ETA receptors respectively). Tocris Bioscience 1175
      Peptide Receptors Tocris Bioscience 1175
      Selective ETB agonist Tocris Bioscience 1175

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

Density: 1.3±0.1 g/cm3
Boiling Point: 2679.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 521.3±3.0 kJ/mol
Flash Point: 1574.2±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 611.8±0.3 cm3
#H bond acceptors: 64
#H bond donors: 38
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 3
ACD/LogP: -7.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1173 Å2
Polarizability: 242.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 1889.5±3.0 cm3

Click to predict properties on the Chemicalize site


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