ChemSpider 2D Image | N~2~-[(2R,5S)-2-Benzyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-6-phenylhexanoyl]-L-glutaminyl-L-phenylalaninamide | C38H47N5O7

N2-[(2R,5S)-2-Benzyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-6-phenylhexanoyl]-L-glutaminyl-L-phenylalaninamide

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID4883443

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N2-[(2R,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxo-6-phenyl-2-(phenylmethyl)hexyl]-L-glutaminyl- [ACD/Index Name]
N2-[(2R,5S)-2-Benzyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-6-phenylhexanoyl]-L-glutaminyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N2-[(2R,5S)-2-Benzyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-6-phenylhexanoyl]-L-glutaminyl-L-phenylalaninamide [ACD/IUPAC Name]
N2-[(2R,5S)-2-Benzyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-6-phénylhexanoyl]-L-glutaminyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
Q50

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1021.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 571.7±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 411.26
ACD/KOC (pH 5.5): 2585.30
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 411.19
ACD/KOC (pH 7.4): 2584.83
Polar Surface Area: 200 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 565.2±3.0 cm3

Click to predict properties on the Chemicalize site


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