ChemSpider 2D Image | N~2~-[(2S)-2-Acetamido-2-phenylacetyl]-N-{(2S,3S)-4-[4-(allylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-3-methyl-L-valinamide | C35H47N5O6S

N2-[(2S)-2-Acetamido-2-phenylacetyl]-N-{(2S,3S)-4-[4-(allylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-3-methyl-L-valinamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID30787859

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-Thiazolidinecarboxamide, 3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-(acetylamino)-2-phenylacetyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-2-propen-1-yl- [ACD/Index Name]
N2-[(2S)-2-Acetamido-2-phenylacetyl]-N-{(2S,3S)-4-[4-(allylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N2-[(2S)-2-Acetamido-2-phenylacetyl]-N-{(2S,3S)-4-[4-(allylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenyl-2-butanyl}-3-methyl-L-valinamide [ACD/IUPAC Name]
N2-[(2S)-2-Acétamido-2-phénylacétyl]-N-{(2S,3S)-4-[4-(allylcarbamoyl)-5,5-diméthyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phényl-2-butanyl}-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1006.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.8±3.0 kJ/mol
Flash Point: 562.3±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.91
ACD/KOC (pH 5.5): 985.60
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.91
ACD/KOC (pH 7.4): 985.60
Polar Surface Area: 182 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 553.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement