ChemSpider 2D Image | N-[(2S)-4-[Methyl(oxido)sulfonio]-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide | C35H47N5O6S

N-[(2S)-4-[Methyl(oxido)sulfonio]-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID129166049

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

Glycinamide, N-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(hydroxymethylsulfonio)-1-oxobutyl]-L-phenylalanyl-N-tricyclo[3.3.1.13,7]dec-1-yl-, inner salt [ACD/Index Name]
N-[(2S)-4-[Methyl(oxido)sulfonio]-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamid [German] [ACD/IUPAC Name]
N-[(2S)-4-[Methyl(oxido)sulfonio]-2-(L-tyrosylamino)butanoyl]-L-phenylalanyl-N-adamantan-1-ylglycinamide [ACD/IUPAC Name]
N-[(2S)-4-[Méthyl(oxydo)sulfonio]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 180.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 186 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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