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ChemSpider 2D Image | N-Acetyl-L-alpha-glutamyl-L-alpha-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamide | C34H60N14O12S


  • Molecular FormulaC34H60N14O12S
  • Average mass888.992 Da
  • Monoisotopic mass888.423584 Da
  • ChemSpider ID9403386
  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Argininamide, N-acetyl-L-α-glutamyl-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl- [ACD/Index Name]
N-Acetyl-L-α-glutamyl-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamid [German] [ACD/IUPAC Name]
N-Acetyl-L-α-glutamyl-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamide [ACD/IUPAC Name]
N-Acétyl-L-α-glutamyl-L-α-glutamyl-L-méthionyl-L-glutaminyl-L-arginyl-L-argininamide [French] [ACD/IUPAC Name]
(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
(6S,9S,12S,15S,18S,21S)-21-Acetamido-1-amino-12-(3-amino-3-oxopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-(3-guanidinoprop yl)-1-imino-15-(2-(methylthio)ethyl)-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazatetracosan-24-oic acid
(6S,9S,12S,15S,18S,21S)-21-acetamido-1-amino-12-(3-amino-3-oxopropyl)-6-carbamoyl-18-(2-carboxyethyl)-9-(3-guanidinopropyl)-1-imino-15-(2-(methylthio)ethyl)-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazatetracosan-24-oic acid
573-20-6 [RN]
616204-22-9 [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth Q-200584
    • Bio Activity:

      Argireline is a non-toxic, antiwrinkle peptide that emulates the action of currently used BoNTs. MedChem Express HY-P0033
      Argireline is a non-toxic, antiwrinkle peptide that emulates the action of currently used BoNTs. ;Target: ;In vitro: Argireline is the first peptide to reduce expression lines. Argireline significantly inhibits neurotransmitter release. Inhibition of neurotransmitter release is due to the interference of the hexapeptide with the formation and/or stability of the protein complex that is required to drive Ca(2+)-dependent exocytosis.;In vivo: Argireline does not exhibit in vivo oral toxicity nor primary irritation at high doses. MedChem Express HY-P0033
      Others MedChem Express HY-P0033

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 212.8±0.5 cm3
#H bond acceptors: 26
#H bond donors: 20
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -6.67
ACD/LogD (pH 5.5): -8.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 484 Å2
Polarizability: 84.4±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 576.0±7.0 cm3

Click to predict properties on the Chemicalize site