ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C33H44N4O6

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

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID17465117

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({(2S)-1-[(4-Méthoxybenzyl)amino]-1-oxo-3-phényl-2-propanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[4-[[[(1S)-2-[[(4-methoxyphenyl)methyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[4-({(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[4-({(2S)-1-[(4-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-tert-butyl 2-(4-(((S)-1-((4-methoxybenzyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
956812-17-2 [RN]
MCULE-1698302412
MolPort-002-521-569
NCGC00187981-01
STOCK1N-45494
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 847.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 123.2±3.0 kJ/mol
    Flash Point: 466.4±34.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 162.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 536.93
    ACD/KOC (pH 5.5): 3130.99
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 536.93
    ACD/KOC (pH 7.4): 3130.99
    Polar Surface Area: 117 Å2
    Polarizability: 64.2±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 493.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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