ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phenyl-2-hepten-4-yl]-L-phenylalaninamide | C36H42N4O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phenyl-2-hepten-4-yl]-L-phenylalaninamide

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID4979348

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S,2E)-1-(3-amino-3-oxopropyl)-4-oxo-4-phenyl-2-buten-1-yl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phenyl-2-hepten-4-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phenyl-2-hepten-4-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phényl-2-heptén-4-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1,7-dioxo-1-phenylhept-2-en-4-yl]-L-phenylalaninamide
((S)-1-{(S)-1-[(E)-(S)-1-(2-Carbamoyl-ethyl)-4-oxo-4-phenyl-but-2-enylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL262762/
L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S,2E)-1-(3-amino-3-oxopropyl)-4-oxo-4-phenyl-2-butenyl]-

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

AIDS163793 [DBID]
AIDS-163793 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 931.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.3±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 993.91
ACD/KOC (pH 5.5): 4865.20
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 993.53
ACD/KOC (pH 7.4): 4863.34
Polar Surface Area: 157 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 526.6±3.0 cm3

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