ChemSpider 2D Image | Benzyl 4-({1-[(1-amino-1-oxo-3-phenyl-2-propanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate | C31H42N4O7

Benzyl 4-({1-[(1-amino-1-oxo-3-phenyl-2-propanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID4479920

More details:

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

4-({1-[(1-Amino-1-oxo-3-phényl-2-propanyl)amino]-3-méthyl-1-oxo-2-pentanyl}amino)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-({1-[(1-amino-1-oxo-3-phenyl-2-propanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoate [ACD/IUPAC Name]
Benzyl-4-({1-[(1-amino-1-oxo-3-phenyl-2-propanyl)amino]-3-methyl-1-oxo-2-pentanyl}amino)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoat [German] [ACD/IUPAC Name]
phenylmethyl 3-[(tert-butoxy)carbonylamino]-3-(N-{1-[N-(1-carbamoyl-2-phenylethyl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate

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

UNM000000634001 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 853.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 470.2±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.64
ACD/KOC (pH 5.5): 2956.69
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 495.20
ACD/KOC (pH 7.4): 2954.04
Polar Surface Area: 166 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 493.6±3.0 cm3

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