ChemSpider 2D Image | N-(2-Ethoxy-2-oxoethyl)-beta-phenyl-D-phenylalanyl-N-({5-[N'-(3,3-dimethylbutanoyl)carbamimidoyl]-2-thienyl}methyl)-L-prolinamide | C36H45N5O5S

N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-({5-[N'-(3,3-dimethylbutanoyl)carbamimidoyl]-2-thienyl}methyl)-L-prolinamide

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID8207885

  • 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[(3,3-dimethyl-1-oxobutyl)imino]methyl]-2-thienyl]methyl]- [ACD/Index Name]
N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-({5-[N'-(3,3-dimethylbutanoyl)carbamimidoyl]-2-thienyl}methyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Ethoxy-2-oxoethyl)-β-phenyl-D-phenylalanyl-N-({5-[N'-(3,3-dimethylbutanoyl)carbamimidoyl]-2-thienyl}methyl)-L-prolinamide [ACD/IUPAC Name]
N-(2-Éthoxy-2-oxoéthyl)-β-phényl-D-phénylalanyl-N-({5-[N'-(3,3-diméthylbutanoyl)carbamimidoyl]-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 185.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2788.93
ACD/KOC (pH 5.5): 9214.77
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3943.50
ACD/KOC (pH 7.4): 13029.56
Polar Surface Area: 171 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 530.4±7.0 cm3

Click to predict properties on the Chemicalize site


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