ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide | C29H46N4O6

N-[(Benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID23223178

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-D-leucyl-N-[(1S)-1-formyl-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-méthyl-1-oxo-2-pentanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-alanyl-D-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
((S)-1-{(R)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butylcarbamoyl}-ethyl)-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345338/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.6±32.9 °C
Index of Refraction: 1.510
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 421.55
ACD/KOC (pH 5.5): 2633.13
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 421.39
ACD/KOC (pH 7.4): 2632.13
Polar Surface Area: 143 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 499.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement