ChemSpider 2D Image | 4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methyl-2-thienyl)methyl]amino}-1-oxo-4-phenyl-2-butanyl]amino}-1-oxo-2-butanyl]benzamide | C34H37N3O5S

4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methyl-2-thienyl)methyl]amino}-1-oxo-4-phenyl-2-butanyl]amino}-1-oxo-2-butanyl]benzamide

  • Molecular FormulaC34H37N3O5S
  • Average mass599.740 Da
  • Monoisotopic mass599.245361 Da
  • ChemSpider ID26325513

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methyl-2-thienyl)methyl]amino}-1-oxo-4-phenyl-2-butanyl]amino}-1-oxo-2-butanyl]benzamid [German] [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methyl-2-thienyl)methyl]amino}-1-oxo-4-phenyl-2-butanyl]amino}-1-oxo-2-butanyl]benzamide [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-méthyl-2-thiényl)méthyl]amino}-1-oxo-4-phényl-2-butanyl]amino}-1-oxo-2-butanyl]benzamide [French] [ACD/IUPAC Name]
4-(Benzyloxy)-N-[(2s,3r)-3-Hydroxy-1-{[(2s)-1-{[(3-Methylthiophen-2-Yl)methyl]amino}-1-Oxo-4-Phenylbutan-2-Yl]amino}-1-Oxobutan-2-Yl]benzamide
Benzenebutanamide, α-[[(2S,3R)-3-hydroxy-1-oxo-2-[[4-(phenylmethoxy)benzoyl]amino]butyl]amino]-N-[(3-methyl-2-thienyl)methyl]-, (αS)- [ACD/Index Name]
3OE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 907.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.2±3.0 kJ/mol
Flash Point: 502.5±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4695.85
ACD/KOC (pH 5.5): 14784.48
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4695.81
ACD/KOC (pH 7.4): 14784.35
Polar Surface Area: 145 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 484.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement