ChemSpider 2D Image | (3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide | C50H69N15O9

(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide

  • Molecular FormulaC50H69N15O9
  • Average mass1024.178 Da
  • Monoisotopic mass1023.540283 Da
  • ChemSpider ID83450
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-{3-[(diaminomethylen)amino]propyl}-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazac yclotricosan-23-carboxamid [German] [ACD/IUPAC Name]
(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-{3-[(diaminomethylene)amino]propyl}-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide [ACD/IUPAC Name]
(3S,6S,9R,12S,15S,23S)-15-[(N-Acétyl-L-norleucyl)amino]-9-benzyl-6-{3-[(diaminométhylène)amino]propyl}-12-(1H-imidazol-5-ylméthyl)-3-(1H-indol-3-ylméthyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide [French] [ACD/IUPAC Name]
(3S,6S,9R,12S,15S,23S)-15-[(N-acetyl-L-norleucyl)amino]-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(aminoiminomethyl)amino]propyl]-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-9-(phenylmethyl)-, (3S,6S,9R,12S,15S,23S)-
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(aminoiminomethyl)amino]propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-9-(phenylmethyl)-, (3S,6S,9R,12S,15S,23S)-
1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(diaminomethylene)amino]propyl]-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-9-(phenylmethyl)-, (3S,6S,9R,12S,15S,23S)-
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(diaminomethylene)amino]propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,1 7-hexaoxo-9-(phenylmethyl)-, (3S,6S,9R,12S,15S,23S)- [ACD/Index Name]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2566
      High affinity melanocortin receptor agonist Tocris Bioscience 2566
      High affinity melanocortin receptor agonist (Ki values are 0.67, 6.6, 34 and 46 nM for MC1, MC4, MC3 and MC5 receptors respectively). Stimulates erectile activity, inhibits food intake and displays ne uroprotective properties in vivo. Tocris Bioscience 2566
      High affinity melanocortin receptor agonist (Ki values are 0.67, 6.6, 34 and 46 nM for MC1, MC4, MC3 and MC5 receptors respectively). Stimulates erectile activity, inhibits food intake and displays neuroprotective properties in vivo. Tocris Bioscience 2566
      Melanocortin Receptors Tocris Bioscience 2566
      Peptide Receptors Tocris Bioscience 2566

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 269.9±0.5 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 385 Å2
Polarizability: 107.0±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 711.7±7.0 cm3

Click to predict properties on the Chemicalize site





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