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Search term: NEDQLXHBVHSKNV-STQMWFEESA-P (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(4S)-4-Ammonio-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-ammoniobutyl)ammonio]propyl}glycinamide | C17H36N6O5S

N-[(4S)-4-Ammonio-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-ammoniobutyl)ammonio]propyl}glycinamide

  • Molecular FormulaC17H36N6O5S
  • Average mass436.569 Da
  • Monoisotopic mass436.245697 Da
  • ChemSpider ID26330935

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycinamide, L-γ-glutamyl-L-cysteinyl-N-[3-[(4-aminobutyl)amino]propyl]-, inner salt, conjugate diacid [ACD/Index Name]
N-[(4S)-4-Ammonio-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-ammoniobutyl)ammonio]propyl}glycinamid [German] [ACD/IUPAC Name]
N-[(4S)-4-Ammonio-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-ammoniobutyl)ammonio]propyl}glycinamide [ACD/IUPAC Name]
N-[(4S)-4-Ammonio-4-carboxylatobutanoyl]-L-cystéinyl-N-{3-[(4-ammoniobutyl)ammonio]propyl}glycinamide [French] [ACD/IUPAC Name]
glutathionylspermidine
glutathionylspermidinium dication
glutathionylspermidinium(2+)
N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-azaniumylbutyl)azaniumyl]propyl}glycinamide
  • Miscellaneous

    • Chemical Class:

      Dication of glutathionylspermidine arising from deprotonation of the terminal carboxy group and protonation of the primary and secondary amino groups; major species at pH 7.3. ChEBI CHEBI:57835

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

Density:
Boiling Point: 832.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 457.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -6.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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