ChemSpider 2D Image | Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(~2~H_3_)methyl]-5-[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-~2~H_3_)-2-oxa-4,7,8,12-tetraazahexa decan-14-yl]carbamate | C38H34D18N6O7

Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-[2-(2H3)methyl(2H6)-2-propanyl]-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexa decan-14-yl]carbamate

  • Molecular FormulaC38H34D18N6O7
  • Average mass722.966 Da
  • Monoisotopic mass722.502747 Da
  • ChemSpider ID28424112

  • 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

[(5S,10S,11S,14S)-11-Benzyl-10-hydroxy-15,15-bis[(2H3)méthyl]-5-[2-(2H3)méthyl(2H6)-2-propanyl]-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tétraazahexadécan-1
 4-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 2-[(methoxycarbonyl)amino]-3,3-di(methyl-d3)-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-di(methyl-d3)-1-oxobutyl-4,4,4-d3]amino]-4-phenylbutyl]-2-[[ 4-(2-pyridinyl)phenyl]methyl]hydrazide, (2S)- [ACD/Index Name]
Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-[2-(2H3)methyl(2H6)-2-propanyl]-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexa ;decan-14-yl]carbamate [ACD/IUPAC Name]
Methyl-[(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-[2-(2H3)methyl(2H6)-2-propanyl]-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexa ;decan-14-yl]carbamat [German] [ACD/IUPAC Name]
[1092540-52-7] [RN]
1092540-52-7 [RN]
Atazanavir-d18
Deuterated Atazanivir-D3-2
Deuterated Atazanivir-D3-3
Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-[2-(2H3)methyl(2H6)propan-2-yl]-3,6,13-trioxo-8-{[4-(pyridin-2-yl)phenyl]methyl}(16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-preferred name)
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.562
    Molar Refractivity: 194.0±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 5
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 4
    ACD/LogP: 5.20
    ACD/LogD (pH 5.5): 4.56
    ACD/BCF (pH 5.5): 1654.44
    ACD/KOC (pH 5.5): 6745.31
    ACD/LogD (pH 7.4): 4.61
    ACD/BCF (pH 7.4): 1883.23
    ACD/KOC (pH 7.4): 7678.09
    Polar Surface Area: 171 Å2
    Polarizability: 76.9±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 597.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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