ChemSpider 2D Image | L-Phenylalanyl-N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-3-methyl-L-valinamide | C36H53N5O5S

L-Phenylalanyl-N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-3-methyl-L-valinamide

  • Molecular FormulaC36H53N5O5S
  • Average mass667.901 Da
  • Monoisotopic mass667.376770 Da
  • ChemSpider ID26385711

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalanyl-N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
L-Phenylalanyl-N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]-3-methyl-L-valinamide [ACD/IUPAC Name]
L-Phénylalanyl-N-[(2S,3S)-4-{(4R)-4-[(2,2-diméthylpropyl)carbamoyl]-5,5-diméthyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phényl-2-butanyl]-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]
L-Valinamide, L-phenylalanyl-N-[(1S,2S)-3-[(4R)-4-[[(2,2-dimethylpropyl)amino]carbonyl]-5,5-dimethyl-3-thiazolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-3-methyl- [ACD/Index 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: 939.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.2±3.0 kJ/mol
Flash Point: 522.0±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 187.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 63.87
ACD/KOC (pH 5.5): 268.85
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1271.46
ACD/KOC (pH 7.4): 5351.89
Polar Surface Area: 179 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 572.6±3.0 cm3

Click to predict properties on the Chemicalize site


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