ChemSpider 2D Image | tert-butyl {(3S,5R)-6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl}carbamate | C29H41N3O5

tert-butyl {(3S,5R)-6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl}carbamate

  • Molecular FormulaC29H41N3O5
  • Average mass511.653 Da
  • Monoisotopic mass511.304626 Da
  • ChemSpider ID23253197

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

{(3S,5R)-6-[(1-Amino-3-méthyl-1-oxo-2-butanyl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phényl-2-hexanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(3S,5R)-6-[(1-amino-3-methyl-1-oxo-2-butanyl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(3S,5R)-6-[(1-amino-3-methyl-1-oxo-2-butanyl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2S,4R)-5-[[1-(aminocarbonyl)-2-methylpropyl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl {(3S,5R)-6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl}carbamate
[(2S,4R)-1-Benzyl-4-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
CHEMBL364773
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL364773/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 773.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.7±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 789.00
ACD/KOC (pH 5.5): 4124.11
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 788.98
ACD/KOC (pH 7.4): 4123.99
Polar Surface Area: 131 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 449.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement