ChemSpider 2D Image | (2s)-2-Amino-N-[(1s)-1-({(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)-3-Phenylpropyl]-4-Phenylbutanamide | C38H44N4O3

(2s)-2-Amino-N-[(1s)-1-({(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)-3-Phenylpropyl]-4-Phenylbutanamide

  • Molecular FormulaC38H44N4O3
  • Average mass604.781 Da
  • Monoisotopic mass604.341370 Da
  • ChemSpider ID26325717

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2s)-2-Amino-N-[(1s)-1-({(1s)-1-[(4-Methylbenzyl)carbamoyl]-3-Phenylpropyl}carbamoyl)-3-Phenylpropyl]-4-Phenylbutanamide
(2S)-2-Amino-N-[(2S)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-1-oxo-4-phenyl-2-butanyl]-4-phenylbutanamid [German] [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-1-oxo-4-phenyl-2-butanyl]-4-phenylbutanamide [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S)-1-({(2S)-1-[(4-méthylbenzyl)amino]-1-oxo-4-phényl-2-butanyl}amino)-1-oxo-4-phényl-2-butanyl]-4-phénylbutanamide [French] [ACD/IUPAC Name]
Benzenebutanamide, α-[[(2S)-2-[[(2S)-2-amino-1-oxo-4-phenylbutyl]amino]-1-oxo-4-phenylbutyl]amino]-N-[(4-methylphenyl)methyl]-, (αS)- [ACD/Index Name]
LXT

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

Density: 1.2±0.1 g/cm3
Boiling Point: 903.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 500.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 179.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 32.12
ACD/KOC (pH 5.5): 127.44
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1127.84
ACD/KOC (pH 7.4): 4474.63
Polar Surface Area: 113 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 524.8±3.0 cm3

Click to predict properties on the Chemicalize site


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