ChemSpider 2D Image | 1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate | C38H43D9N6O7

1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate

  • Molecular FormulaC38H43D9N6O7
  • Average mass713.911 Da
  • Monoisotopic mass713.446228 Da
  • ChemSpider ID28424099

  • 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-méthyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tétraazahexadécan-14-yl]carbamate de 
 méthyle [French] [ACD/IUPAC Name]
1,14-Dimethyl (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate
1092540-51-6 [RN]
Butanoic acid, 2-[(methoxycarbonyl)amino]-3,3-dimethyl-, 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)phe nyl]methyl]hydrazide, (2S)- [ACD/Index Name]
Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbam ate [ACD/IUPAC Name]
Methyl-[(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(2H3)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbam at [German] [ACD/IUPAC Name]
Atazanavir-d9
Deuterated Atazanivir-D3-2
Methyl [(5S,10S,11S,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-bis[(2H3)methyl]-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)
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-(methoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-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:
    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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