ChemSpider 2D Image | beta-Hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-Nalpha-[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]phenylalaninamide | C33H41N3O6

β-Hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-Nα-[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]phenylalaninamide

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID411536

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,2R)-3-[[2-[[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-1-(hydroxyphenylmethyl)-2-oxoethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
β-Hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-Nα-[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]phenylalaninamid [German] [ACD/IUPAC Name]
β-Hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-Nα-[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]phenylalaninamide [ACD/IUPAC Name]
β-Hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]-Nα-[(2R,3S)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-b-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]phenylalaninamide

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

AIDS058306 [DBID]
AIDS-058306 [DBID]
AIDS058374 [DBID]
AIDS-058374 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 452.43
ACD/KOC (pH 5.5): 2314.66
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 841.50
ACD/KOC (pH 7.4): 4305.16
Polar Surface Area: 140 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


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