ChemSpider 2D Image | N-[(2R)-4-(Methylsulfinyl)-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide | C35H47N5O6S

N-[(2R)-4-(Methylsulfinyl)-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID24681275

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

Glycinamide, N-[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylsulfinyl)-1-oxobutyl]-L-phenylalanyl-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[(2R)-4-(Methylsulfinyl)-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamid [German] [ACD/IUPAC Name]
N-[(2R)-4-(Methylsulfinyl)-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide [ACD/IUPAC Name]
N-[(2R)-4-(Méthylsulfinyl)-2-(L-tyrosylamino)butanoyl]-L-phénylalanyl-N-adamantan-1-ylglycinamide [French] [ACD/IUPAC 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: 1084.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.6±3.0 kJ/mol
Flash Point: 609.7±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 180.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.98
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 15.76
ACD/KOC (pH 7.4): 221.07
Polar Surface Area: 199 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 497.8±5.0 cm3

Click to predict properties on the Chemicalize site


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