ChemSpider 2D Image | N-Acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | C33H41N5O5S

N-Acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide

  • Molecular FormulaC33H41N5O5S
  • Average mass619.774 Da
  • Monoisotopic mass619.282837 Da
  • ChemSpider ID35035184

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Prolinamide, N-acetyl-L-phenylalanyl-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- [ACD/Index Name]
N-Acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-L-phénylalanyl-3-méthyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-méthyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide [French] [ACD/IUPAC Name]
3JO
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344088/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 950.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 528.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.19
ACD/KOC (pH 5.5): 573.19
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.32
ACD/KOC (pH 7.4): 574.67
Polar Surface Area: 169 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 495.0±3.0 cm3

Click to predict properties on the Chemicalize site


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