ChemSpider 2D Image | tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-6-oxo-1-phenylhexan-2-yl]carbamate | C31H45N3O6

tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-6-oxo-1-phenylhexan-2-yl]carbamate

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID4586221

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S,5R)-5-Benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyéthyl)amino]-3-méthyl-1-oxo-2-butanyl}amino)-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyethyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyethyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-2-hydroxy-5-[[(1S)-1-[[(2-hydroxyethyl)amino]carbonyl]-2-methylpropyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-6-oxo-1-phenylhexan-2-yl]carbamate
{1-Benzyl-2-hydroxy-4-[1-(2-hydroxy-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-5-phenyl-pentyl}-carbamic acid tert-butyl ester
L-682, 679 analog 34
N'-(2-Hydroxyethyl)-N-[5(S)-[(tert-butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]valine amide

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

AIDS003467 [DBID]
AIDS-003467 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 818.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.8±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 154.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 529.03
ACD/KOC (pH 5.5): 3097.92
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.02
ACD/KOC (pH 7.4): 3097.83
Polar Surface Area: 137 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 484.7±3.0 cm3

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