ChemSpider 2D Image | N,O,beta,beta-Tetramethyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C28H45N3O5

N,O,β,β-Tetramethyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID8499294

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N,O,β,β-tetramethyl-L-tyrosyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N,O,β,β-Tetramethyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,O,β,β-Tetramethyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,O,β,β-Tétraméthyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,3-diméthyl-L-valinamide [French] [ACD/IUPAC Name]
N,O,β,β-tetramethyl-L-tyrosyl-N-[(3S,4E)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
4-({2-[3-(4-Methoxy-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid
CHEMBL188372

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.1±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 18.04
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 13.20
Polar Surface Area: 108 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 469.5±3.0 cm3

Click to predict properties on the Chemicalize site


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