Found 2 results

Search term: WMLLJSBRSSYYPT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2Z,4E)-N-[(1R)-3-({3-Methyl-1-[(3S,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4-hexadienamide | C25H31N3O5

(2Z,4E)-N-[(1R)-3-({3-Methyl-1-[(3S,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4-hexadienamide

  • Molecular FormulaC25H31N3O5
  • Average mass453.531 Da
  • Monoisotopic mass453.226379 Da
  • ChemSpider ID107449185

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2Z,4E)-N-[(1R)-3-({3-Methyl-1-[(3S,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4-hexadienamid [German] [ACD/IUPAC Name]
(2Z,4E)-N-[(1R)-3-({3-Methyl-1-[(3S,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4-hexadienamide [ACD/IUPAC Name]
(2Z,4E)-N-[(1R)-3-({3-Méthyl-1-[(3S,4S)-4-méthyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phénylpropyl]-2,4-hexadiénamide [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[2-methyl-1-[[(3S,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl]propyl]-β-[[(2Z,4E)-1-oxo-2,4-hexadien-1-yl]amino]-, (βR)- [ACD/Index Name]
155233-31-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 238.5±33.0 °C
Index of Refraction: 1.548
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.64
ACD/KOC (pH 5.5): 271.19
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 193.65
Polar Surface Area: 121 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 388.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement