ChemSpider 2D Image | N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-leucyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-L-leucinamide | C28H48N4O5

N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-leucyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-L-leucinamide

  • Molecular FormulaC28H48N4O5
  • Average mass520.705 Da
  • Monoisotopic mass520.362488 Da
  • ChemSpider ID9424451

  • 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-[(1,2,5,6-tetrahydro-3-pyridinyl)carbonyl]-L-leucyl-N-[(1S,2E)-4-ethoxy-1-(2-methylpropyl)-4-oxo-2-buten-1-yl]- [ACD/Index Name]
N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-leucyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-L-leucinamid [German] [ACD/IUPAC Name]
N-(1,2,5,6-Tetrahydro-3-pyridinylcarbonyl)-L-leucyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxo-2-hepten-4-yl]-L-leucinamide [ACD/IUPAC Name]
N-(1,2,5,6-Tétrahydro-3-pyridinylcarbonyl)-L-leucyl-N-[(2E,4S)-1-éthoxy-6-méthyl-1-oxo-2-heptén-4-yl]-L-leucinamide [French] [ACD/IUPAC Name]
N-(1,2,5,6-tetrahydropyridin-3-ylcarbonyl)-L-leucyl-N-[(2E,4S)-1-ethoxy-6-methyl-1-oxohept-2-en-4-yl]-L-leucinamide
(S)-6-Methyl-4-((S)-4-methyl-2-{(S)-4-methyl-2-[(1,2,5,6-tetrahydro-pyridine-3-carbonyl)-amino]-pentanoylamino}-pentanoylamino)-hept-2-enoic acid ethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL426081/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.7±32.9 °C
Index of Refraction: 1.501
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 11.62
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 49.52
ACD/KOC (pH 7.4): 459.74
Polar Surface Area: 126 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 491.7±3.0 cm3

Click to predict properties on the Chemicalize site


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