ChemSpider 2D Image | N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N~2~-[methyl({2-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide | C32H39D6N5O3S

N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide

  • Molecular FormulaC32H39D6N5O3S
  • Average mass585.833 Da
  • Monoisotopic mass585.362000 Da
  • ChemSpider ID58781473

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Butanamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[methyl[[2-[1-(methyl-d3)ethyl-2,2,2-d3]-4-thiazolyl]methyl]amino]carbonyl]amino]-, (2S)- [ACD/Index Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]-L-valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphényl-2-hexanyl]-N2-[méthyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}méthyl)carbamoyl]-L-valinamide [French] [ACD/IUPAC Name]
(2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-2-[[[2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanamide
1217772-02-5 [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: 822.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.3±3.0 kJ/mol
    Flash Point: 451.2±34.3 °C
    Index of Refraction: 1.587
    Molar Refractivity: 166.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 4.58
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.25
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 1.75
    ACD/KOC (pH 7.4): 10.85
    Polar Surface Area: 149 Å2
    Polarizability: 66.2±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 496.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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