ChemSpider 2D Image | N,beta,beta-Trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide | C27H43N3O4

N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID23249129

  • 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,β,β-trimethyl-L-phenylalanyl-N-[(1S,2Z)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl]-N,3-dimethyl- [ACD/Index Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamid [German] [ACD/IUPAC Name]
N,β,β-Trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methyl-4-hexen-3-yl]-N,3-dimethyl-L-valinamide [ACD/IUPAC Name]
N,β,β-Triméthyl-L-phénylalanyl-N-[(3S,4Z)-5-carboxy-2-méthyl-4-hexén-3-yl]-N,3-diméthyl-L-valinamide [French] [ACD/IUPAC Name]
N,β,β-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
(S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-methylamino-3-phenyl-butyrylamino)-butyryl]-methyl-amino}-2,5-dimethyl-hex-2-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 18.47
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 10.67
Polar Surface Area: 99 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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