ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-2-hydroxy-5-methyl-1-[(2-phenylethyl)sulfanyl]-3-hexanyl}-L-alaninamide | C32H47N3O5S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-2-hydroxy-5-methyl-1-[(2-phenylethyl)sulfanyl]-3-hexanyl}-L-alaninamide

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID34221646

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1R)-1-[(1S)-1-hydroxy-2-[(2-phenylethyl)thio]ethyl]-3-methylbutyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-2-hydroxy-5-methyl-1-[(2-phenylethyl)sulfanyl]-3-hexanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-{(2S,3R)-2-hydroxy-5-methyl-1-[(2-phenylethyl)sulfanyl]-3-hexanyl}-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-{(2S,3R)-2-hydroxy-5-méthyl-1-[(2-phényléthyl)sulfanyl]-3-hexanyl}-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7444.45
ACD/KOC (pH 5.5): 20561.20
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7442.54
ACD/KOC (pH 7.4): 20555.91
Polar Surface Area: 142 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 517.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement