ChemSpider 2D Image | N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N~2~-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide | C31H48N4O7S

N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N2-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID88298604

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Cysteinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N2-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl- [ACD/Index Name]
N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N2-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamid [German] [ACD/IUPAC Name]
N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N2-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide [ACD/IUPAC Name]
N-(4-Morpholinylcarbonyl)-L-phénylalanyl-N2-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-méthyl-L-cystéinamide [French] [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: 870.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.5±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1169.21
ACD/KOC (pH 5.5): 5465.10
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1169.07
ACD/KOC (pH 7.4): 5464.44
Polar Surface Area: 177 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 508.4±3.0 cm3

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