ChemSpider 2D Image | N-(2,2-Dimethylpropanoyl)-L-tryptophyl-N~6~-[(2-methylphenyl)carbamoyl]-L-lysyl-L-alpha-aspartyl-Nalpha-methyl-L-phenylalaninamide | C44H56N8O8

N-(2,2-Dimethylpropanoyl)-L-tryptophyl-N6-[(2-methylphenyl)carbamoyl]-L-lysyl-L-α-aspartyl-Nα-methyl-L-phenylalaninamide

  • Molecular FormulaC44H56N8O8
  • Average mass824.964 Da
  • Monoisotopic mass824.422119 Da
  • ChemSpider ID8208964

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-(2,2-dimethyl-1-oxopropyl)-L-tryptophyl-N6-[[(2-methylphenyl)amino]carbonyl]-L-lysyl-L-α-aspartyl-Nα-methyl- [ACD/Index Name]
N-(2,2-Dimethylpropanoyl)-L-tryptophyl-N6-[(2-methylphenyl)carbamoyl]-L-lysyl-L-α-asparagyl-Nα-methyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2,2-Dimethylpropanoyl)-L-tryptophyl-N6-[(2-methylphenyl)carbamoyl]-L-lysyl-L-α-aspartyl-Nα-methyl-L-phenylalaninamide [ACD/IUPAC Name]
N-(2,2-Diméthylpropanoyl)-L-tryptophyl-N6-[(2-méthylphényl)carbamoyl]-L-lysyl-L-α-aspartyl-Nα-méthyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-2-(2,2-dimethyl-propionylamino)-3-1H-indol-3-yl-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1149.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 177.8±3.0 kJ/mol
Flash Point: 649.2±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 227.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 47.10
ACD/KOC (pH 5.5): 258.46
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 245 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 647.2±3.0 cm3

Click to predict properties on the Chemicalize site


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