ChemSpider 2D Image | 2,6-Dimethyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl]-D-alaninamide | C26H33N5O5

2,6-Dimethyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl]-D-alaninamide

  • Molecular FormulaC26H33N5O5
  • Average mass495.571 Da
  • Monoisotopic mass495.248169 Da
  • ChemSpider ID26637007

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,6-Dimethyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl]-D-alaninamid [German] [ACD/IUPAC Name]
2,6-Dimethyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl]-D-alaninamide [ACD/IUPAC Name]
2,6-Diméthyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoéthyl)-3-oxo-2,3,4,5-tétrahydro-1H-2-benzazépin-4-yl]-D-alaninamide [French] [ACD/IUPAC Name]
D-Alaninamide, 2,6-dimethyl-L-tyrosyl-N-[(4S)-2-(2-amino-2-oxoethyl)-2,3,4,5-tetrahydro-3-oxo-1H-2-benzazepin-4-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 918.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.1±3.0 kJ/mol
Flash Point: 509.2±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 73.46
Polar Surface Area: 168 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 372.4±5.0 cm3

Click to predict properties on the Chemicalize site


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