ChemSpider 2D Image | Ethyl N-[4-(benzyloxy)-3-{[3-cyclohexyl-N-(1-naphthylacetyl)-L-alanyl]amino}-2-oxobutanoyl]glycinate | C36H43N3O7

Ethyl N-[4-(benzyloxy)-3-{[3-cyclohexyl-N-(1-naphthylacetyl)-L-alanyl]amino}-2-oxobutanoyl]glycinate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID24664705

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Ethyl N-[4-(benzyloxy)-3-{[3-cyclohexyl-N-(1-naphthylacetyl)-L-alanyl]amino}-2-oxobutanoyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[4-(benzyloxy)-3-{[3-cyclohexyl-N-(1-naphthylacetyl)-L-alanyl]amino}-2-oxobutanoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[3-[[(2S)-3-cyclohexyl-2-[[2-(1-naphthalenyl)acetyl]amino]-1-oxopropyl]amino]-1,2-dioxo-4-(phenylmethoxy)butyl]-, ethyl ester [ACD/Index Name]
N-[4-(Benzyloxy)-3-({3-cyclohexyl-N-[2-(1-naphtyl)acétyl]-L-alanyl}amino)-2-oxobutanoyl]glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11900.15
ACD/KOC (pH 5.5): 28765.12
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11876.02
ACD/KOC (pH 7.4): 28706.78
Polar Surface Area: 140 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 523.2±3.0 cm3

Click to predict properties on the Chemicalize site


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