ChemSpider 2D Image | Nalpha-(4-Morpholinylcarbonyl)-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-phenylalaninamide | C33H39N3O4S

Nα-(4-Morpholinylcarbonyl)-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-phenylalaninamide

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID9278931

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1S)-2-oxo-2-[[(1S)-2-oxo-1-(phenylmethyl)-3-[(3-phenylpropyl)thio]propyl]amino]-1-(phenylmethyl)ethyl]- [ACD/Index Name]
Nα-(4-Morpholinylcarbonyl)-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(4-Morpholinylcarbonyl)-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-phenylalaninamide [ACD/IUPAC Name]
Nα-(4-Morpholinylcarbonyl)-N-{(2S)-3-oxo-1-phényl-4-[(3-phénylpropyl)sulfanyl]-2-butanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-(morpholin-4-ylcarbonyl)-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]butan-2-yl}-L-phenylalaninamide
CHEMBL350102
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL350102/
Morpholine-4-carboxylic acid {1-[1-benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-2-phenyl-ethyl}-amide
N-((S)-1-oxo-1-((S)-3-oxo-1-phenyl-4-(3-phenylpropylthio)butan-2-ylamino)-3-phenylpropan-2-yl)morpholine-4-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10646.44
ACD/KOC (pH 5.5): 26562.05
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10644.40
ACD/KOC (pH 7.4): 26556.95
Polar Surface Area: 113 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 477.1±3.0 cm3

Click to predict properties on the Chemicalize site


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