ChemSpider 2D Image | Benzyl N-{(2S)-2-hydroxy-2-[(2S)-1-(L-valyl)-2-pyrrolidinyl]acetyl}-D-leucyl-L-valinate | C29H46N4O6

Benzyl N-{(2S)-2-hydroxy-2-[(2S)-1-(L-valyl)-2-pyrrolidinyl]acetyl}-D-leucyl-L-valinate

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID9975399

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Benzyl N-{(2S)-2-hydroxy-2-[(2S)-1-(L-valyl)-2-pyrrolidinyl]acetyl}-D-leucyl-L-valinate [ACD/IUPAC Name]
Benzyl-N-{(2S)-2-hydroxy-2-[(2S)-1-(L-valyl)-2-pyrrolidinyl]acetyl}-D-leucyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[(2S)-2-[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-2-hydroxyacetyl]-D-leucyl-, phenylmethyl ester [ACD/Index Name]
N-{(2S)-2-Hydroxy-2-[(2S)-1-(L-valyl)-2-pyrrolidinyl]acétyl}-D-leucyl-L-valinate de benzyle [French] [ACD/IUPAC 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: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 41.76
Polar Surface Area: 151 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 473.7±3.0 cm3

Click to predict properties on the Chemicalize site


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