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Search term: QYENXTYKACLCGO-BZSNNMDCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide | C21H29N3O5

N2-[(Benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide

  • Molecular FormulaC21H29N3O5
  • Average mass403.472 Da
  • Monoisotopic mass403.210724 Da
  • ChemSpider ID88297701

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-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: 680.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 133.92
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 133.87
Polar Surface Area: 114 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

Click to predict properties on the Chemicalize site


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