ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[(2S,3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate | C36H43N3O7

2-Methyl-2-propanyl 1-[(2S,3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID414161

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(2S,3S)-3-({N-[(Benzyloxy)carbonyl]-L-phénylalanyl}amino)-2-hydroxy-4-phénylbutanoyl]-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(2S,3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(2S,3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2S,3S)-2-hydroxy-1-oxo-3-[[(2S)-1-oxo-3-phenyl-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-4-phenylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (2S)-1-(3-{(2S)-3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoylamino}(2S,3S)-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carboxylate

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

AIDS071492 [DBID]
AIDS-071492 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 850.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 468.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7738.90
ACD/KOC (pH 5.5): 21140.08
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7735.90
ACD/KOC (pH 7.4): 21131.89
Polar Surface Area: 134 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 512.7±3.0 cm3

Click to predict properties on the Chemicalize site


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