ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-[(2S)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-3-buten-2-yl]-L-leucinamide | C29H41N3O6

N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-3-buten-2-yl]-L-leucinamide

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID29415464

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-3-methyl-1-[[[(1S)-1-[[(1S,2S)-2-[[[(2R,3S)-3-[(1S)-1-methylpropyl]-4-oxo-2-oxetanyl]carbonyl]amino]cyclopropyl]methyl]-2-propen-1-yl]amino]carbonyl]butyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-3-buten-2-yl]-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-3-buten-2-yl]-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxétanyl}carbonyl)amino]cyclopropyl}-3-butén-2-yl]-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.59
ACD/KOC (pH 5.5): 1003.87
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.56
ACD/KOC (pH 7.4): 1003.55
Polar Surface Area: 123 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 449.2±5.0 cm3

Click to predict properties on the Chemicalize site


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