ChemSpider 2D Image | Benzyl [(1r)-1-({(1s,2s,3s)-1-Benzyl-2-Hydroxy-4-({(1s)-1-[(2-Hydroxy-4-Methoxybenzyl)carbamoyl]-2-Methylpropyl}amino)-3-[(4-Methoxybenzyl)amino]-4-Oxobutyl}carbamoyl)-2,2-Dimethylpropyl]carbamate | C46H59N5O9

Benzyl [(1r)-1-({(1s,2s,3s)-1-Benzyl-2-Hydroxy-4-({(1s)-1-[(2-Hydroxy-4-Methoxybenzyl)carbamoyl]-2-Methylpropyl}amino)-3-[(4-Methoxybenzyl)amino]-4-Oxobutyl}carbamoyl)-2,2-Dimethylpropyl]carbamate

  • Molecular FormulaC46H59N5O9
  • Average mass825.989 Da
  • Monoisotopic mass825.431274 Da
  • ChemSpider ID392178

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-1-({(2S,3R,4R)-3-Hydroxy-5-({(2S)-1-[(2-hydroxy-4-méthoxybenzyl)amino]-3-méthyl-1-oxo-2-butanyl}amino)-4-[(4-méthoxybenzyl)amino]-5-oxo-1-phényl-2-pentanyl}amino)-3,3-diméthyl-1-oxo-2-butanyl]ca rbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(1r)-1-({(1s,2s,3s)-1-Benzyl-2-Hydroxy-4-({(1s)-1-[(2-Hydroxy-4-Methoxybenzyl)carbamoyl]-2-Methylpropyl}amino)-3-[(4-Methoxybenzyl)amino]-4-Oxobutyl}carbamoyl)-2,2-Dimethylpropyl]carbamate
Benzyl [(2S)-1-({(2S,3R,4R)-3-hydroxy-5-({(2S)-1-[(2-hydroxy-4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}amino)-3,3-dimethyl-1-oxo-2-but anyl]carbamate [ACD/IUPAC Name]
benzyl [(2S)-1-({(2S,3R,4R)-3-hydroxy-5-({(2S)-1-[(2-hydroxy-4-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenylpentan-2-yl}amino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate (non-preferred name)
Benzyl-[(2S)-1-({(2S,3R,4R)-3-hydroxy-5-({(2S)-1-[(2-hydroxy-4-methoxybenzyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}amino)-3,3-dimethyl-1-oxo-2-but anyl]carbamat [German] [ACD/IUPAC Name]
(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)tert.leucinyl)amino)-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl)valine 2-hydroxy-4-methoxy-benzylamide
(2R,3S,4S)-N-[4-[[N-[(Benzyloxy)carbonyl]tert.leucinyl]amino]-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl]valine 2-hydroxy-4-methoxy-benzylamide
{(S)-1-[(R)-1-(S)-1-Benzyl-2-hydroxy-3-[1-((S)-2-hydroxy-4-methoxy-benzylcarbamoyl)-2-methyl-propylcarbamoyl]-3-((R)-4-methoxy-benzylamino)-propylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid benzyl ester
164514-54-9 [RN]
2Z4
More...

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

AIDS031494 [DBID]
AIDS-031494 [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: 1059.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.6±3.0 kJ/mol
Flash Point: 594.7±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 229.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 13582.47
ACD/KOC (pH 5.5): 23029.81
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39782.52
ACD/KOC (pH 7.4): 67453.40
Polar Surface Area: 197 Å2
Polarizability: 90.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 686.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement