ChemSpider 2D Image | 5-Oxoprolyl-L-histidyl-N-[(1S,4S,7S,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl-2-p ropanyl)oxy]methyl}-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide | C59H84N18O14

5-Oxoprolyl-L-histidyl-N-[(1S,4S,7S,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl-2-p ropanyl)oxy]methyl}-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide

  • Molecular FormulaC59H84N18O14
  • Average mass1269.411 Da
  • Monoisotopic mass1268.641479 Da
  • ChemSpider ID25069952

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-Pyrrolidinecarboxylic acid, 1-[(2S,5S,8S,11S,14S,17S,20S)-2-[3-[(aminoiminomethyl)amino]propyl]-8-[(1,1-dimethylethoxy)methyl]-14-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-20-(1H-imidazol-4-ylmet hyl)-17-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocos-1-yl]-, 2-(aminocarbonyl)hydrazide, (2S)- [ACD/Index Name]
5-Oxoprolyl-L-histidyl-N-[(1S,4S,7S,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl-2-p ropanyl)oxy]methyl}-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamid [German] [ACD/IUPAC Name]
5-Oxoprolyl-L-histidyl-N-[(1S,4S,7S,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-7-{[(2-methyl-2-p ropanyl)oxy]methyl}-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide [ACD/IUPAC Name]
5-Oxoprolyl-L-histidyl-N-[(1S,4S,7S,10S,13S)-18-amino-13-({(2S)-2-[(2-carbamoylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-4-(4-hydroxybenzyl)-1-(hydroxyméthyl)-18-imino-10-isobutyl-7-{[(2-méthyl-2-p ropanyl)oxy]méthyl}-2,5,8,11-tétraoxo-3,6,9,12,17-pentaazaoctadéc-1-yl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
[1233494-97-7] [RN]
[145781-92-6] [RN]
1233494-97-7 [RN]
145781-92-6 [RN]
Goserelin acetate
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3592
      GnRH receptor agonist Tocris Bioscience 3592
      Gonadotrophin-Releasing Hormone Receptors Tocris Bioscience 3592
      Peptide Receptors Tocris Bioscience 3592
      Synthetic gonadotropin-releasing hormone (GnRH) analog that behaves as an agonist at the GnRH receptors. Stimulates gonadotropin and sex hormone release in the short term, and causes suppression with continued administration. Displays antiproliferative activity in breast, prostate and endometrial cancers. Tocris Bioscience 3592
      Synthetic gonadotropin-releasing hormone (GnRH) analog that behaves as an agonist at the GnRH receptors. Stimulates gonadotropin and sex hormone release in the short term, and causes suppression with continued administration. Displays antiproliferative activity in breast, prostate and endometrial cancers. Tocris Bioscience 3592

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 323.7±0.5 cm3
#H bond acceptors: 32
#H bond donors: 20
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 493 Å2
Polarizability: 128.3±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 844.7±7.0 cm3

Click to predict properties on the Chemicalize site


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