ChemSpider 2D Image | N-(2-Ethoxy-2-oxoethyl)-beta-phenyl-D-phenylalanyl-N-{[5-(N'-propionylcarbamimidoyl)-2-thienyl]methyl}-L-prolinamide | C33H39N5O5S

N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-{[5-(N'-propionylcarbamimidoyl)-2-thienyl]methyl}-L-prolinamide

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID8207350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-(2-ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-[[5-[(Z)-amino[(1-oxopropyl)imino]methyl]-2-thienyl]methyl]- [ACD/Index Name]
N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-{[5-(N'-propionylcarbamimidoyl)-2-thienyl]methyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-{[5-(N'-propionylcarbamimidoyl)-2-thienyl]methyl}-L-prolinamide [ACD/IUPAC Name]
N-(2-Éthoxy-2-oxoéthyl)-β-phényl-D-phénylalanyl-N-{[5-(N'-propionylcarbamimidoyl)-2-thiényl]méthyl}-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 171.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 441.83
ACD/KOC (pH 5.5): 2528.71
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 571.42
ACD/KOC (pH 7.4): 3270.36
Polar Surface Area: 171 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 478.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement