Found 24 results

Search term: AXRYRYVKAWYZBR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl [(5S,10S,11S,14S)-11-benzyl-10-hydroxy-15,15-bis[(~2~H_3_)methyl]-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](16,16,16-~2~H_3_)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbam
ate | C38H43D9N6O7

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

  • 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]
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]
1092540-51-6 [RN]
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

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






Advertisement