ChemSpider 2D Image | (2S)-N-[(2S)-1-({(2S)-3,3-Dimethyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-butanyl}amino)-1-oxo-3-phenyl-2-propanyl]-3,3-dimethyl-2-({(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}amino)butanamide | C40H57N5O7

(2S)-N-[(2S)-1-({(2S)-3,3-Dimethyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-butanyl}amino)-1-oxo-3-phenyl-2-propanyl]-3,3-dimethyl-2-({(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}amino)butanamide

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID28637813
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2S)-N-[(2S)-1-({(2S)-3,3-Dimethyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-butanyl}amino)-1-oxo-3-phenyl-2-propanyl]-3,3-dimethyl-2-({(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}amino)butanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-N-[(2S)-1-({(2S)-3,3-Dimethyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-butanyl}amino)-1-oxo-3-phenyl-2-propanyl]-3,3-dimethyl-2-({(2S)-2-[(4-morpholinylacetyl)amino]-4-phenylbutanoyl}amino)butanamide [ACD/IUPAC Name]
(2S)-N-[(2S)-1-({(2S)-3,3-Diméthyl-1-[(2R)-2-méthyl-2-oxiranyl]-1-oxo-2-butanyl}amino)-1-oxo-3-phényl-2-propanyl]-3,3-diméthyl-2-{[(2S)-2-{[2-(4-morpholinyl)acétyl]amino}-4-phénylbutanoyl]amino}butana mide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 967.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 538.8±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 197.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2382.64
ACD/KOC (pH 5.5): 8202.00
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3403.62
ACD/KOC (pH 7.4): 11716.63
Polar Surface Area: 158 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 618.9±3.0 cm3

Click to predict properties on the Chemicalize site






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