ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-[({(2S)-1-[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)amino]-4-(methylsulfanyl)butanoate | C28H43N3O6S

2-Methyl-2-propanyl (2S)-2-[({(2S)-1-[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)amino]-4-(methylsulfanyl)butanoate

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID8706076

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-[({(2S)-1-[(2S)-3-Méthyl-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)amino]-4-(méthylsulfanyl)butanoate de 2-méthyl-2-propanyle (non-preferred name ) [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S)-2-[({(2S)-1-[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)amino]-4-(methylsulfanyl)butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-[({(2S)-1-[(2S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)amino]-4-(methylsulfanyl)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1277.50
ACD/KOC (pH 5.5): 5822.79
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1277.18
ACD/KOC (pH 7.4): 5821.33
Polar Surface Area: 139 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 476.0±3.0 cm3

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