ChemSpider 2D Image | N-[(1s)-3-{[(Benzyloxy)carbonyl]amino}-1-Carboxypropyl]-L-Leucyl-N-(2-Morpholin-4-Ylethyl)-L-Phenylalaninamide | C33H47N5O7

N-[(1s)-3-{[(Benzyloxy)carbonyl]amino}-1-Carboxypropyl]-L-Leucyl-N-(2-Morpholin-4-Ylethyl)-L-Phenylalaninamide

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID392638
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Phenylalaninamide, N-[(1R)-1-carboxy-3-[[(phenylmethoxy)carbonyl]amino]propyl]-L-leucyl-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-[2-(4-morpholinyl)ethyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-[2-(4-morpholinyl)ethyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-[2-(4-morpholinyl)éthyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(1s)-3-{[(Benzyloxy)carbonyl]amino}-1-Carboxypropyl]-L-Leucyl-N-(2-Morpholin-4-Ylethyl)-L-Phenylalaninamide
0ED
CBZ-ABU-LEU-PHE-EMR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 895.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.4±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.26
Polar Surface Area: 158 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 524.3±3.0 cm3

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