ChemSpider 2D Image | N-[(3S)-3-Amino-4-sulfanylbutanoyl]-L-valyl-L-phenylalanyl-L-methionine | C23H36N4O5S2

N-[(3S)-3-Amino-4-sulfanylbutanoyl]-L-valyl-L-phenylalanyl-L-methionine

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID24683368

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Methionine, N-[(3S)-3-amino-4-mercapto-1-oxobutyl]-L-valyl-L-phenylalanyl- [ACD/Index Name]
N-[(3S)-3-Amino-4-sulfanylbutanoyl]-L-valyl-L-phenylalanyl-L-methionin [German] [ACD/IUPAC Name]
N-[(3S)-3-Amino-4-sulfanylbutanoyl]-L-valyl-L-phenylalanyl-L-methionine [ACD/IUPAC Name]
N-[(3S)-3-Amino-4-sulfanylbutanoyl]-L-valyl-L-phénylalanyl-L-méthionine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352408/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 866.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.5±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement