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Search term: FGRTVYZNNRCSAS-KBPBESRZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxo-2-pentanyl}amino)-4-oxobutanoate | C17H32N2O5

Ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxo-2-pentanyl}amino)-4-oxobutanoate

  • Molecular FormulaC17H32N2O5
  • Average mass344.446 Da
  • Monoisotopic mass344.231110 Da
  • ChemSpider ID59053716

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-Hydroxy-4-({(2S)-4-méthyl-1-[(3-méthylbutyl)amino]-1-oxo-2-pentanyl}amino)-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-4-[[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]-4-oxo-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxo-2-pentanyl}amino)-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxo-2-pentanyl}amino)-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.5±30.1 °C
Index of Refraction: 1.476
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.15
ACD/KOC (pH 5.5): 277.15
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.15
ACD/KOC (pH 7.4): 277.15
Polar Surface Area: 105 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site


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