Found 107 results

Search term: MF = 'C_{28}H_{47}N_{3}O_{5}S'
ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-1-(isobutylsulfanyl)-5-methyl-3-hexanyl]-L-alaninamide | C28H47N3O5S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-1-(isobutylsulfanyl)-5-methyl-3-hexanyl]-L-alaninamide

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID34221653

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1R)-1-[(1S)-1-hydroxy-2-[(2-methylpropyl)thio]ethyl]-3-methylbutyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-1-(isobutylsulfanyl)-5-methyl-3-hexanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-2-hydroxy-1-(isobutylsulfanyl)-5-methyl-3-hexanyl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(2S,3R)-2-hydroxy-1-(isobutylsulfanyl)-5-méthyl-3-hexanyl]-L-alaninamide [French] [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: 759.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.9±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2826.93
ACD/KOC (pH 5.5): 10281.26
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2826.21
ACD/KOC (pH 7.4): 10278.62
Polar Surface Area: 142 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 490.3±3.0 cm3

Click to predict properties on the Chemicalize site


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