ChemSpider 2D Image | Nalpha-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-phenylalaninamide | C33H41N3O5

Nα-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-phenylalaninamide

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID411535

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,2R)-3-[[(1S)-2-[[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
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]-L-phenylalaninamid [German] [ACD/IUPAC Name]
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]-L-phenylalaninamide [ACD/IUPAC Name]
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]-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-phenylalaninamide
{(1S,2R)-1-Benzyl-2-hydroxy-3-[(1R,2S)-1-((S)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester
{(1S,2R)-1-Benzyl-2-hydroxy-3-[(S)-1-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester
{1-Benzyl-2-hydroxy-3-[1-(2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-carbamic acid tert-butyl ester
N-[-1-Phenyl-2(S)-[(tert-butoxycarbonyl)amino]-3(R)-hydroxybutan-4-yl]-L- phenylalanine(2(R)-hydroxy-1(S)-indanyl)amide

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

AIDS058305 [DBID]
AIDS-058305 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.2±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2019.91
ACD/KOC (pH 5.5): 6337.06
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4674.73
ACD/KOC (pH 7.4): 14666.03
Polar Surface Area: 120 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

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