ChemSpider 2D Image | {(1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,60S,63R,68R,71S,77S)-63-Amino-13,45,54,60-tetrakis(4-aminobutyl)-4,36-bis(3-carbamimidamidopropyl)-16-carbamoyl-27-(4-hydroxybenzyl)-71-[ (1R)-1-hydroxyethyl]-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82- hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.2~21,68~]pentaoctacont-24-yl}acetic acid | C102H172N36O32S7

{(1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,60S,63R,68R,71S,77S)-63-Amino-13,45,54,60-tetrakis(4-aminobutyl)-4,36-bis(3-carbamimidamidopropyl)-16-carbamoyl-27-(4-hydroxybenzyl)-71-[ (1R)-1-hydroxyethyl]-7,39,77-tris(hydroxymethyl)-33-isobutyl-48-methyl-30-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82- hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacont-24-yl}acetic acid

  • Molecular FormulaC102H172N36O32S7
  • Average mass2639.134 Da
  • Monoisotopic mass2637.098389 Da
  • ChemSpider ID76962561

  • defined stereocentres - 21 of 22 defined stereocentres

More details:

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

107452-89-1 [RN]
SNX-111
Ziconotide [Wiki]
ω-Conopeptide MVIIA (Conus)
ω-conotoxin MVIIA
  • Miscellaneous

    • Chemical Class:

      A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Gly-Lys-Gly-Ala-Lys-Cys-Ser-Arg-Leu-Met-Tyr-Asp-Cys-Cys-Thr-Gly-Ser-Cys-Arg-Ser-Gly-Lys-Cys-NH2 with thr; ee disulfide bridge s between cysteine residues 1-16, 8-20 and 15-25. A neuronal N-type Ca2+ channel blocker in mammalian and amphibian brain, it blocks release of GABA and glutam; ate at neuronal synapses. Used as a pr obe for calcium channel receptors, it is selective for different receptor subtypes. A synthetic form, named ziconotide, is an atypical analgesic agent for the amelioration of severe and chronic pain. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142406
      A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Gly-Lys-Gly-Ala-Lys-Cys-Ser-Arg-Leu-Met-Tyr-Asp-Cys-Cys-Thr-Gly-Ser-Cys-Arg-Ser-Gly-Lys-Cys-NH2 with three disulfide bridges between cysteine residues 1-16, 8-20 and 15-25. A neuronal N-type Ca(2+) channel blocker in mammalian and amphibian brain, it blocks release of GABA and glutamate at neuronal synapses. Used as a prob e for calcium channel receptors, it is selective for different receptor subtypes. A synthetic form, named ziconotide, is an atypical analgesic agent for the amelioration of severe and chronic pain. ChEBI CHEBI:142406

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 642.1±0.5 cm3
#H bond acceptors: 68
#H bond donors: 50
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: -17.05
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: 1311 Å2
Polarizability: 254.5±0.5 10-24cm3
Surface Tension: 75.7±7.0 dyne/cm
Molar Volume: 1643.8±7.0 cm3

Click to predict properties on the Chemicalize site


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