ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]-L-leucinamide | C28H45N3O6S

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]-L-leucinamide

  • Molecular FormulaC28H45N3O6S
  • Average mass551.738 Da
  • Monoisotopic mass551.302917 Da
  • ChemSpider ID4593751

  • 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-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-3-methyl-1-[(E)-2-(methylsulfonyl)ethenyl]butyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)-1-hexen-3-yl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-méthyl-1-(méthylsulfonyl)-1-hexén-3-yl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)hex-1-en-3-yl]-L-leucinamide
193482-47-2 [RN]
Benzyl (S)-4-methyl-1-((S)-4-methyl-1-((S,E)-5-methyl-1-(methylsulfonyl)hex-1-en-3-ylamino)-1-oxopentan-2-ylamino)-1-oxopentan-2-ylcarbamate
BENZYL N-[(1S)-1-{[(1S)-1-{[(1E,3S)-1-METHANESULFONYL-5-METHYLHEX-1-EN-3-YL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMATE
carbobenzyloxy-Leu-Leu-Leu-vinyl sulfone
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-3-methyl-1-[(1E)-2-(methylsulfonyl)ethenyl]butyl]- (9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.3±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.68
ACD/KOC (pH 5.5): 3473.27
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.45
ACD/KOC (pH 7.4): 3471.96
Polar Surface Area: 139 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 493.5±3.0 cm3

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