ChemSpider 2D Image | Methyl L-cysteinyl-L-valyl-O-(3,7-dimethyloctanoyl)-L-tyrosinate | C28H45N3O6S

Methyl L-cysteinyl-L-valyl-O-(3,7-dimethyloctanoyl)-L-tyrosinate

  • Molecular FormulaC28H45N3O6S
  • Average mass551.738 Da
  • Monoisotopic mass551.302917 Da
  • ChemSpider ID23137300

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Cystéinyl-L-valyl-O-(3,7-diméthyloctanoyl)-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]
L-Tyrosine, L-cysteinyl-L-valyl-O-(3,7-dimethyl-1-oxooctyl)-, methyl ester [ACD/Index Name]
Methyl L-cysteinyl-L-valyl-O-(3,7-dimethyloctanoyl)-L-tyrosinate [ACD/IUPAC Name]
Methyl-L-cysteinyl-L-valyl-O-(3,7-dimethyloctanoyl)-L-tyrosinat [German] [ACD/IUPAC Name]
3,7-Dimethyl-octanoic acid 4-{(S)-2-[(S)-2-((R)-2-amino-3-mercapto-propionylamino)-3-methyl-butyrylamino]-2-methoxycarbonyl-ethyl}-phenyl ester
CHEMBL41039

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

Density: 1.1±0.1 g/cm3
Boiling Point: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 160.02
ACD/KOC (pH 5.5): 772.88
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 960.15
ACD/KOC (pH 7.4): 4637.50
Polar Surface Area: 176 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 492.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement