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-argininamide | C29H40N8O5

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-argininamide

  • Molecular FormulaC29H40N8O5
  • Average mass580.679 Da
  • Monoisotopic mass580.312195 Da
  • ChemSpider ID26334624

  • 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-argininamid [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-argininamide [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-argininamide [French] [ACD/IUPAC Name]
D-Argininamide, 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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 409.7±7.0 cm3

Click to predict properties on the Chemicalize site


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