ChemSpider 2D Image | N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoethyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-(1-hydroxyethyl)-28-(hyd
roxymethyl)-45-isobutyl-16-[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]henpen
tacont-36-yl}carbonyl)-L-histidyl-L-glutamin | C105H156N28O34S5

N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoethyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-(1-hydroxyethyl)-28-(hyd roxymethyl)-45-isobutyl-16-[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]henpen tacont-36-yl}carbonyl)-L-histidyl-L-glutamin

  • Molecular FormulaC105H156N28O34S5
  • Average mass2514.854 Da
  • Monoisotopic mass2512.994141 Da
  • ChemSpider ID25069821
  • defined stereocentres - 23 of 23 defined stereocentres


More details:






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

L-Tryptophan, N-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoethyl)-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-(1-hydroxyethyl)-28- (hydroxymethyl)-45-(2-methylpropyl)-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-tetradec aazabicyclo[23.22.4]henpentacont-36-yl]carbo [ACD/Index Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoethyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-(1-hydroxyethyl)-28-(hyd roxymethyl)-45-isobutyl-16-[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]henpen tacont-36-yl}carbonyl)-L-histidyl-L-glutamin [ACD/IUPAC Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoethyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-(1-hydroxyethyl)-28-(hyd roxymethyl)-45-isobutyl-16-[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]henpen tacont-36-yl}carbonyl)-L-histidyl-L-glutamin [German] [ACD/IUPAC Name]
N-({(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-Amino-7,22-bis(4-aminobutyl)-42-(2-amino-2-oxoéthyl)-39-benzyl-4-(2-carboxyéthyl)-10,19-bis(carboxyméthyl)-13-(1-hydroxyéthyl)-28-(hyd roxyméthyl)-45-isobutyl-16-[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]hénpen tacont-36-yl}carbonyl)-L-histidyl-L-glutamin [French] [ACD/IUPAC Name]
[126738-34-9]
119965-38-7 [RN]
126738-34-9 [RN]
H-CYS-SER-CYS-LYS-ASP-MET-THR-ASP-LYS-GLU-CYS-LEU-ASN-PHE-CYS-HIS-GLN-ASP-VAL-ILE-TRP-OH
PUBCHEM_71308664
Sarafotoxin A
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1899
      Endothelin receptor agonist Tocris Bioscience 1899
      Endothelin receptor agonist (EC50 values are 7.5 and > 150 nM for contraction of pig coronary artery and guinea pig aorta respectively). Nociceptive in vivo. Tocris Bioscience 1899
      Endothelin Receptors Tocris Bioscience 1899
      Peptide Receptors Tocris Bioscience 1899

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 2591.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 497.3±3.0 kJ/mol
Flash Point: 1521.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 623.1±0.3 cm3
#H bond acceptors: 62
#H bond donors: 39
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 3
ACD/LogP: -6.21
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: 1144 Å2
Polarizability: 247.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 1936.4±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form