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Search term: 32675060 (Found by CSID)
ChemSpider 2D Image | (2E)-N,2-Dimethyl-N-[(2S,3S)-3-methyl-1-{methyl[(2S,3S)-3-methyl-1-{methyl[(2S)-3-methyl-1-(methyl{(2S)-3-methyl-1-oxo-1-[(2S)-2-{[(2S)-2-propionyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinyl]-2-butanyl}a mino)-1-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]amino}-1-oxo-2-pentanyl]-2-octen-7-ynamide | C47H78N6O7

(2E)-N,2-Dimethyl-N-[(2S,3S)-3-methyl-1-{methyl[(2S,3S)-3-methyl-1-{methyl[(2S)-3-methyl-1-(methyl{(2S)-3-methyl-1-oxo-1-[(2S)-2-{[(2S)-2-propionyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinyl]-2-butanyl}a mino)-1-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]amino}-1-oxo-2-pentanyl]-2-octen-7-ynamide

  • Molecular FormulaC47H78N6O7
  • Average mass839.158 Da
  • Monoisotopic mass838.593201 Da
  • ChemSpider ID32675060

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-N,2-Dimethyl-N-[(2S,3S)-3-methyl-1-{methyl[(2S,3S)-3-methyl-1-{methyl[(2S)-3-methyl-1-(methyl{(2S)-3-methyl-1-oxo-1-[(2S)-2-{[(2S)-2-propionyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinyl]-2-butanyl}a mino)-1-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]amino}-1-oxo-2-pentanyl]-2-octen-7-inamid [German] [ACD/IUPAC Name]
(2E)-N,2-Dimethyl-N-[(2S,3S)-3-methyl-1-{methyl[(2S,3S)-3-methyl-1-{methyl[(2S)-3-methyl-1-(methyl{(2S)-3-methyl-1-oxo-1-[(2S)-2-{[(2S)-2-propionyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinyl]-2-butanyl}a mino)-1-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]amino}-1-oxo-2-pentanyl]-2-octen-7-ynamide [ACD/IUPAC Name]
(2E)-N,2-Diméthyl-N-[(2S,3S)-3-méthyl-1-{méthyl[(2S,3S)-3-méthyl-1-{méthyl[(2S)-3-méthyl-1-(méthyl{(2S)-3-méthyl-1-oxo-1-[(2S)-2-{[(2S)-2-propionyl-1-pyrrolidinyl]carbonyl}-1-pyrrolidinyl]-2-butanyl}a mino)-1-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]amino}-1-oxo-2-pentanyl]-2-octén-7-ynamide [French] [ACD/IUPAC Name]
2-Octen-7-ynamide, N,2-dimethyl-N-[(1S,2S)-2-methyl-1-[[methyl[(1S,2S)-2-methyl-1-[[methyl[(1S)-2-methyl-1-[[methyl[(1S)-2-methyl-1-[[(2S)-2-[[(2S)-2-(1-oxopropyl)-1-pyrrolidinyl]carbonyl]-1-pyrrolidi nyl]carbonyl]propyl]amino]carbonyl]propyl]amino]carbonyl]butyl]amino]carbonyl]butyl]-, (2E)- [ACD/Index Name]
kurahyne

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

Density: 1.1±0.1 g/cm3
Boiling Point: 937.0±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: 332.2±26.6 °C
Index of Refraction: 1.524
Molar Refractivity: 234.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1034.69
ACD/KOC (pH 5.5): 5007.27
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.69
ACD/KOC (pH 7.4): 5007.28
Polar Surface Area: 139 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 768.3±3.0 cm3

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