ChemSpider 2D Image | tert-butyl [(2S,3R)-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}amino)-3-hydroxy-1-(quinolin-6-yl)butan-2-yl]carbamate | C33H46N4O6

tert-butyl [(2S,3R)-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}amino)-3-hydroxy-1-(quinolin-6-yl)butan-2-yl]carbamate

  • Molecular FormulaC33H46N4O6
  • Average mass594.742 Da
  • Monoisotopic mass594.341736 Da
  • ChemSpider ID407464

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3R)-3-Hydroxy-4-{[(2R,3S)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]amino}-1-(6-quinoléinyl)-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]amino}-1-(6-quinolinyl)-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-1-(6-chinolinyl)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]amino}-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(6-quinolinylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3R)-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}amino)-3-hydroxy-1-(quinolin-6-yl)butan-2-yl]carbamate
(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(6-quinolinylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester
[(1S,2R)-3-((2R,3S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-2-hydroxy-1-quinolin-6-ylmethyl-propyl]-carbamic acid tert-butyl ester
[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(6-quinolinylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester
175233-59-7 [RN]
BMS-186318 analog 3
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS033289 [DBID]
AIDS-033289 [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: 775.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.7±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 15.72
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 226.80
ACD/KOC (pH 7.4): 750.75
Polar Surface Area: 142 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 504.4±3.0 cm3

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