ChemSpider 2D Image | beta-Alanyl-L-tyrosyl-L-seryl-D-methionyl-L-alpha-glutamyl-D-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)-L-lysinamide | C99H155N29O21S

β-Alanyl-L-tyrosyl-L-seryl-D-methionyl-L-α-glutamyl-D-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)-L-lysinamide

  • Molecular FormulaC99H155N29O21S
  • Average mass2119.537 Da
  • Monoisotopic mass2118.167236 Da
  • ChemSpider ID28529427

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

L-Lysinamide, β-alanyl-L-tyrosyl-L-seryl-D-methionyl-L-α-glutamyl-D-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)- [ACD/Index Name]
β-Alanyl-L-tyrosyl-L-seryl-D-methionyl-L-α-glutamyl-D-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)-L-lysinamid [German] [ACD/IUPAC Name]
β-Alanyl-L-tyrosyl-L-seryl-D-methionyl-L-α-glutamyl-D-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)-L-lysinamide [ACD/IUPAC Name]
β-Alanyl-L-tyrosyl-L-séryl-D-méthionyl-L-α-glutamyl-D-histidyl-L-phénylalanyl-L-arginyl-L-tryptophylglycyl-D-lysyl-L-prolyl-L-valylglycyl-L-lysyl-D-lysyl-N-(4-aminobutyl)-L-lysinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 549.1±0.5 cm3
#H bond acceptors: 50
#H bond donors: 37
#Freely Rotating Bonds: 74
#Rule of 5 Violations: 3
ACD/LogP: -3.71
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: 851 Å2
Polarizability: 217.7±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 1475.7±7.0 cm3

Click to predict properties on the Chemicalize site


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