ChemSpider 2D Image | N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(1-piperidinylcarbonyl)oxy]-L-prolinamide | C32H49N5O8

N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(1-piperidinylcarbonyl)oxy]-L-prolinamide

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID31138302

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Prolinamide, N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(1-piperidinylcarbonyl)oxy]-, (4R)- [ACD/Index Name]
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(1-piperidinylcarbonyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Acetamido-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(1-piperidinylcarbonyl)oxy]-L-prolinamide [ACD/IUPAC Name]
N-[(2S)-2-Acétamido-2-cyclohexylacétyl]-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-4-[(1-pipéridinylcarbonyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 921.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 511.0±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 164.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 18.51
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 494.9±5.0 cm3

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