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-[(3S,4S)-3-hydroxy-1-(isopropylsulfanyl)-6-methyl-4-heptanyl]-L-alaninamide | C28H47N3O5S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-(isopropylsulfanyl)-6-methyl-4-heptanyl]-L-alaninamide

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID23142791

  • 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-[(1S,2S)-2-hydroxy-4-[(1-methylethyl)thio]-1-(2-methylpropyl)butyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-(isopropylsulfanyl)-6-methyl-4-heptanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(3S,4S)-3-hydroxy-1-(isopropylsulfanyl)-6-methyl-4-heptanyl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(3S,4S)-3-hydroxy-1-(isopropylsulfanyl)-6-méthyl-4-heptanyl]-L-alaninamide [French] [ACD/IUPAC Name]
{1-[1-(2-Hydroxy-1-isobutyl-4-isopropylsulfanyl-butylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 747.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.8±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: 5.62
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 6005.40
ACD/KOC (pH 5.5): 17630.80
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 6003.87
ACD/KOC (pH 7.4): 17626.29
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


Advertisement