ChemSpider 2D Image | N-[(2R)-2-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]-4-(methylsulfinyl)butanoyl]-L-phenylalanine | C28H37N3O8S

N-[(2R)-2-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]-4-(methylsulfinyl)butanoyl]-L-phenylalanine

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID9257552

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Phenylalanine, N-[(2R)-2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylsulfinyl)-1-oxobutyl]- [ACD/Index Name]
N-[(2R)-2-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]-4-(methylsulfinyl)butanoyl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(2R)-2-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]-4-(methylsulfinyl)butanoyl]-L-phenylalanine [ACD/IUPAC Name]
N-[(2R)-2-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tyrosyl)amino]-4-(méthylsulfinyl)butanoyl]-L-phénylalanine [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: 941.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 523.1±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

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