ChemSpider 2D Image | CBZ-LEU-LEU-TYR-CH2F | C30H43N3O6

CBZ-LEU-LEU-TYR-CH2F

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID4591863

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[(R)-hydroxy[[(1S)-1-[[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxopropyl]amino]carbonyl]-3-methylbutyl]amino]methyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
CBZ-LEU-LEU-TYR-CH2F
N2-[(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-4-methylpentyl]-N-[(2S)-1-(4-hydroxyphenyl)-3-oxo-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-4-methylpentyl]-N-[(2S)-1-(4-hydroxyphenyl)-3-oxo-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N2-[(1R,2S)-2-{[(Benzyloxy)carbonyl]amino}-1-hydroxy-4-méthylpentyl]-N-[(2S)-1-(4-hydroxyphényl)-3-oxo-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
benzyl N-[(1R,2S)-1-hydroxy-1-{[(1S)-1-{[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]carbamoyl}-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamate
C1N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.9±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 751.61
ACD/KOC (pH 5.5): 3814.90
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 869.93
ACD/KOC (pH 7.4): 4415.43
Polar Surface Area: 137 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 469.4±3.0 cm3

Click to predict properties on the Chemicalize site


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