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Search term: YZEPUSAWUGGWQU-UQTORGHUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(5-Methoxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(1-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)methyl]butanoic acid | C32H39N3O8

4-(5-Methoxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(1-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)methyl]butanoic acid

  • Molecular FormulaC32H39N3O8
  • Average mass593.667 Da
  • Monoisotopic mass593.273743 Da
  • ChemSpider ID23142733

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2H-Isoindole-2-butanoic acid, 1,3-dihydro-5-methoxy-α-[[1-[[[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxoethyl]amino]carbonyl]cyclohexyl]methyl]-1,3-dioxo- [ACD/Index Name]
4-(5-Methoxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(1-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)methyl]butanoic acid [ACD/IUPAC Name]
4-(5-Methoxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(1-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)methyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-(5-méthoxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(1-{[(2S)-3-(4-méthoxyphényl)-1-(méthylamino)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)méthyl]butanoïque [French] [ACD/IUPAC Name]
4-(5-Methoxy-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-{1-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-cyclohexylmethyl}-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 879.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 57.42
ACD/KOC (pH 5.5): 329.55
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.18
Polar Surface Area: 151 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 470.2±3.0 cm3

Click to predict properties on the Chemicalize site


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