ChemSpider 2D Image | vapreotide | C57H70N12O9S2

vapreotide

  • Molecular FormulaC57H70N12O9S2
  • Average mass1131.371 Da
  • Monoisotopic mass1130.483032 Da
  • ChemSpider ID5293243

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1 ,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-carboxamid [German] [ACD/IUPAC Name]
(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1 ,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide [ACD/IUPAC Name]
(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylméthyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(D-phénylalanylamino)-1 ,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide [French] [ACD/IUPAC Name]
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
(4R,7S,10S,13R,16S,19R)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-4-carboxamide, 10-(4-aminobutyl)-N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-19-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-16-[(4-hydroxyphenyl)me thyl]-13-(1H-indol-3-ylmethyl)-7-(1-methylethyl)-6,9,12,15,18-pentaoxo-, (4R,7S,10S,13R,16S,19R)- [ACD/Index Name]
103222-11-3 [RN]
1H-Indole-3-propanamide, α-[[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-(1-methylethyl)-6,9,12 ,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]amino]-, (αS)- [ACD/Index Name]
1H-indole-3-propanamide, α-[[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-(1-methylethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]amino]-, (αS)-
2PK59M9GFF
More...

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

6485 [DBID]
BMY 41606 [DBID]
RC 160 [DBID]
CCRIS 6495 [DBID]
RC-160 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3139
      Cyclic octapeptide somatostatin analog (Ki values are 0.7, 5.4, 30.9, 45 and > 1000 nM for sst5, sst2, sst3, sst4 and sst1 receptors respectively). More metabolically stable than somatostatin (Cat. No . 1157). Inhibits growth hormone release in vivo. Tocris Bioscience 3139
      Cyclic octapeptide somatostatin analog (Ki values are 0.7, 5.4, 30.9, 45 and > 1000 nM for sst5, sst2, sst3, sst4 and sst1 receptors respectively). More metabolically stable than somatostatin (Cat. No. 1157). Inhibits growth hormone release in vivo. Tocris Bioscience 3139
      Peptide Receptors Tocris Bioscience 3139
      Somatostatin Receptors Tocris Bioscience 3139
      sst analog Tocris Bioscience 3139

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1540.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 247.4±3.0 kJ/mol
Flash Point: 885.7±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 310.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 16
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 401 Å2
Polarizability: 123.2±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 804.8±5.0 cm3

Click to predict properties on the Chemicalize site


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