ChemSpider 2D Image | (2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide | C31H42N4O4

(2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID4593448

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide
[(2S,3S,5R)-5-Benzyl-3-hydroxy-6-{[(1S)-1-(1H-imidazol-2-yl)-2-méthylpropyl]amino}-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-2-hydroxy-5-[[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
IM1
Sb203386. See Remark 4.

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

Density: 1.2±0.1 g/cm3
Boiling Point: 794.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 52.77
ACD/KOC (pH 5.5): 229.91
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1087.54
ACD/KOC (pH 7.4): 4738.01
Polar Surface Area: 116 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

Click to predict properties on the Chemicalize site


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