ChemSpider 2D Image | Ethyl (4R)-4-({(2R,5S)-6-methyl-2-(3-methyl-2-buten-1-yl)-5-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-seryl)amino]-4-oxoheptanoyl}amino)-5-[(3R)-2-oxo-3-pyrrolidinyl]pentanoate | C32H54N4O9

Ethyl (4R)-4-({(2R,5S)-6-methyl-2-(3-methyl-2-buten-1-yl)-5-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-seryl)amino]-4-oxoheptanoyl}amino)-5-[(3R)-2-oxo-3-pyrrolidinyl]pentanoate

  • Molecular FormulaC32H54N4O9
  • Average mass638.793 Da
  • Monoisotopic mass638.389000 Da
  • ChemSpider ID25057776

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-4-({(2R,5S)-6-Méthyl-2-(3-méthyl-2-butén-1-yl)-5-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-séryl)amino]-4-oxoheptanoyl}amino)-5-[(3R)-2-oxo-3-pyrrolidinyl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinepentanoic acid, γ-[[(2R,5S)-5-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-1-oxopropyl]amino]-6-methyl-2-(3-methyl-2-buten-1-yl)-1,4-dioxoheptyl]amino]-2-oxo-, ethyl ester , (γR,3R)- [ACD/Index Name]
Ethyl (4R)-4-({(2R,5S)-6-methyl-2-(3-methyl-2-buten-1-yl)-5-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-seryl)amino]-4-oxoheptanoyl}amino)-5-[(3R)-2-oxo-3-pyrrolidinyl]pentanoate [ACD/IUPAC Name]
Ethyl-(4R)-4-({(2R,5S)-6-methyl-2-(3-methyl-2-buten-1-yl)-5-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-seryl)amino]-4-oxoheptanoyl}amino)-5-[(3R)-2-oxo-3-pyrrolidinyl]pentanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 877.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 144.8±0.0 kJ/mol
Flash Point: 484.2±0.0 °C
Index of Refraction: 1.503
Molar Refractivity: 167.3±0.0 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.50
ACD/KOC (pH 5.5): 969.62
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.46
ACD/KOC (pH 7.4): 969.26
Polar Surface Area: 189 Å2
Polarizability: 66.3±0.0 10-24cm3
Surface Tension: 43.5±0.0 dyne/cm
Molar Volume: 565.6±0.0 cm3

Click to predict properties on the Chemicalize site


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