ChemSpider 2D Image | N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-L-phenylalaninamide | C40H61N5O7

N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-L-phenylalaninamide

  • Molecular FormulaC40H61N5O7
  • Average mass723.942 Da
  • Monoisotopic mass723.457092 Da
  • ChemSpider ID35035112
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

L-Phenylalaninamide, N-[(2S)-2-[[2-(4-morpholinyl)acetyl]amino]-1-oxo-4-phenylbutyl]-L-leucyl-N-[(1S,2S,3R)-2,4-dihydroxy-3-methyl-1-(2-methylpropyl)butyl]- [ACD/Index Name]
N-[(2S)-2-{[2-(4-Morpholinyl)acétyl]amino}-4-phénylbutanoyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-diméthyl-4-heptanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{(2s)-2-[(Morpholin-4-Ylacetyl)amino]-4-Phenylbutanoyl}-L-Leucyl-N-[(2r,3s,4s)-1,3-Dihydroxy-2,6-Dimethylheptan-4-Yl]-L-Phenylalaninamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1002.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 559.8±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 201.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 100.22
ACD/KOC (pH 5.5): 849.05
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.17
ACD/KOC (pH 7.4): 1212.88
Polar Surface Area: 169 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 632.5±3.0 cm3

Click to predict properties on the Chemicalize site






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