ChemSpider 2D Image | N~2~-(Ethoxycarbonyl)-N-[(2S,3S,5R)-3-hydroxy-5-(5-isopropyl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamide | C32H44N4O4

N2-(Ethoxycarbonyl)-N-[(2S,3S,5R)-3-hydroxy-5-(5-isopropyl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamide

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID401428

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[(1S,2S,4R)-2-hydroxy-4-[5-(1-methylethyl)-1H-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylpropyl]-, ethyl ester [ACD/Index Name]
N2-(Ethoxycarbonyl)-N-[(2S,3S,5R)-3-hydroxy-5-(5-isopropyl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-(Ethoxycarbonyl)-N-[(2S,3S,5R)-3-hydroxy-5-(5-isopropyl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamide [ACD/IUPAC Name]
N2-(Éthoxycarbonyl)-N-[(2S,3S,5R)-3-hydroxy-5-(5-isopropyl-1H-imidazol-2-yl)-1,6-diphényl-2-hexanyl]-L-valinamide [French] [ACD/IUPAC Name]
N2-(ethoxycarbonyl)-N-{(2S,3S,5R)-3-hydroxy-1,6-diphenyl-5-[4-(propan-2-yl)-1H-imidazol-2-yl]hexan-2-yl}-L-valinamide
[1-[[[2-Hydroxy-4-[4-(1-methylethyl)-1H-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylpropyl]carbamic acid, ethyl ester, [1S-[1R*(R*),2R*,4S*]]
{(S)-1-[(1S,2S,4R)-1-Benzyl-2-hydroxy-4-(5-isopropyl-1H-imidazol-2-yl)-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid ethyl ester
Val Imid HOEt isostere

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

AIDS006595 [DBID]
AIDS-006595 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 802.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.9±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 15.15
ACD/KOC (pH 5.5): 60.51
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 524.15
ACD/KOC (pH 7.4): 2094.14
Polar Surface Area: 116 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 481.3±3.0 cm3

Click to predict properties on the Chemicalize site


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