ChemSpider 2D Image | N-[(1-{[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-leucine | C33H43N3O6

N-[(1-{[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-leucine

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID21344937

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 3-[[4-[[[(1R)-1-carboxy-3-methylbutyl]amino]carbonyl]-4-phenyl-1-piperidinyl]carbonyl]-3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]
N-[(1-{[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-leucin [German] [ACD/IUPAC Name]
N-[(1-{[(3R)-2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-D-leucine [French] [ACD/IUPAC Name]
N-[(1-{[(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-leucine [ACD/IUPAC Name]
(2R)-4-methyl-2-[[1-[(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoic acid
1212703-58-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 788.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.2±3.0 kJ/mol
    Flash Point: 430.4±32.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 157.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.75
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 19.18
    ACD/KOC (pH 5.5): 74.34
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.48
    Polar Surface Area: 116 Å2
    Polarizability: 62.6±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 479.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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