ChemSpider 2D Image | L-Valyl-N-[(3S)-7-amino-1-chloro-2-oxo-3-heptanyl]-L-phenylalaninamide | C21H33ClN4O3

L-Valyl-N-[(3S)-7-amino-1-chloro-2-oxo-3-heptanyl]-L-phenylalaninamide

  • Molecular FormulaC21H33ClN4O3
  • Average mass424.965 Da
  • Monoisotopic mass424.224121 Da
  • ChemSpider ID95602060

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, L-valyl-N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]- [ACD/Index Name]
L-Valyl-N-[(3S)-7-amino-1-chlor-2-oxo-3-heptanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Valyl-N-[(3S)-7-amino-1-chloro-2-oxo-3-heptanyl]-L-phenylalaninamide [ACD/IUPAC Name]
L-Valyl-N-[(3S)-7-amino-1-chloro-2-oxo-3-heptanyl]-L-phénylalaninamide [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: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 366.1±3.0 cm3

Click to predict properties on the Chemicalize site


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