ChemSpider 2D Image | (2S,5S)-N-[(2R)-1-(Isobutylamino)-1-oxo-2-propanyl]-2,7-dimethyl-5-{[N-(3-methylbutanoyl)-L-valyl]amino}-4-oxooctanamide | C27H50N4O5

(2S,5S)-N-[(2R)-1-(Isobutylamino)-1-oxo-2-propanyl]-2,7-dimethyl-5-{[N-(3-methylbutanoyl)-L-valyl]amino}-4-oxooctanamide

  • Molecular FormulaC27H50N4O5
  • Average mass510.710 Da
  • Monoisotopic mass510.378113 Da
  • ChemSpider ID23180505

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5S)-2,7-dimethyl-5-{[N-(3-methylbutanoyl)-L-valyl]amino}-N-{(2R)-1-[(2-methylpropyl)amino]-1-oxopropan-2-yl}-4-oxooctanamide
(2S,5S)-N-[(2R)-1-(Isobutylamino)-1-oxo-2-propanyl]-2,7-dimethyl-5-{[N-(3-methylbutanoyl)-L-valyl]amino}-4-oxooctanamid [German] [ACD/IUPAC Name]
(2S,5S)-N-[(2R)-1-(Isobutylamino)-1-oxo-2-propanyl]-2,7-dimethyl-5-{[N-(3-methylbutanoyl)-L-valyl]amino}-4-oxooctanamide [ACD/IUPAC Name]
(2S,5S)-N-[(2R)-1-(Isobutylamino)-1-oxo-2-propanyl]-2,7-diméthyl-5-{[N-(3-méthylbutanoyl)-L-valyl]amino}-4-oxooctanamide [French] [ACD/IUPAC Name]
Octanamide, 2,7-dimethyl-5-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-N-[(1R)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl]-4-oxo-, (2S,5S)- [ACD/Index Name]
2,7-Dimethyl-5-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-4-oxo-octanoic acid (1-isobutylcarbamoyl-ethyl)-amide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 192.9±33.0 °C
Index of Refraction: 1.479
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.81
ACD/KOC (pH 5.5): 925.42
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.81
ACD/KOC (pH 7.4): 925.42
Polar Surface Area: 133 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 498.1±3.0 cm3

Click to predict properties on the Chemicalize site


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