ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate | C33H46N4O6

2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate

  • Molecular FormulaC33H46N4O6
  • Average mass594.742 Da
  • Monoisotopic mass594.341736 Da
  • ChemSpider ID17465939

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S)-1-[4-({(2S)-1-[(4-Méthoxybenzyl)amino]-3-méthyl-1-oxo-2-butanyl}carbamoyl)-1-pipéridinyl]-1-oxo-3-phényl-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[4-[[[(1S)-1-[[[(4-methoxyphenyl)methyl]amino]carbonyl]-2-methylpropyl]amino]carbonyl]-1-piperidinyl]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
957024-50-9 [RN]
TERT-BUTYL N-[(2S)-1-(4-{[(1S)-1-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}PIPERIDIN-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL]CARBAMATE
tert-butyl N-[(2S)-1-[4-[[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 846.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 123.1±3.0 kJ/mol
    Flash Point: 466.0±34.3 °C
    Index of Refraction: 1.550
    Molar Refractivity: 164.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.57
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 976.11
    ACD/KOC (pH 5.5): 4802.68
    ACD/LogD (pH 7.4): 4.24
    ACD/BCF (pH 7.4): 976.04
    ACD/KOC (pH 7.4): 4802.31
    Polar Surface Area: 126 Å2
    Polarizability: 65.0±0.5 10-24cm3
    Surface Tension: 46.9±3.0 dyne/cm
    Molar Volume: 515.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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