ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-phenylalanyl-L-leucylglycinate | C31H42N4O7

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-phenylalanyl-L-leucylglycinate

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID67178650

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-phenylalanyl-L-leucylglycinate [ACD/IUPAC Name]
BenzylN-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-phenylalanyl-L-leucylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-D-phenylalanyl-L-leucyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycyl-D-phénylalanyl-L-leucylglycinate de benzyle [French] [ACD/IUPAC Name]
2227198-99-2 [RN]
benzyl (tert-butoxycarbonyl)glycyl-D-phenylalanyl-L-leucylglycinate
benzyl 2-[(2S)-2-[(2R)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-3-phenylpropanamido]-4-methylpentanamido]acetate
benzyl 2-[(2S)-2-[(2R)-2-{2-[(tert-butoxycarbonyl)amino]acetamido}-3-phenylpropanamido]-4-methylpentanamido]acetate
Benzyl 2-[[(2S)-2-[[(2R)-2-[[2-(t-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetate
benzyl 2-[[(2S)-2-[[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.7±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.85
ACD/KOC (pH 5.5): 1012.12
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.80
ACD/KOC (pH 7.4): 1011.62
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 498.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement