ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl]-4-(ethoxycarbonyl)-1,3-oxazol-5-yl}methyl)-2-methoxyphenyl]-3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-
indole-1-carboxylate | C46H56N4O10

2-Methyl-2-propanyl 4-[3-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl]-4-(ethoxycarbonyl)-1,3-oxazol-5-yl}methyl)-2-methoxyphenyl]-3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H- indole-1-carboxylate

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID9541299
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-1-carboxylic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-4-[3-[[4-(ethoxycarbonyl)-2-[(1S)-2-methyl-1-[[(phenylmethoxy)carbonyl]amino]propyl]-5-oxazolyl]methyl]-2-methoxyphenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl]-4-(ethoxycarbonyl)-1,3-oxazol-5-yl}methyl)-2-methoxyphenyl]-3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H- indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl]-4-(ethoxycarbonyl)-1,3-oxazol-5-yl}methyl)-2-methoxyphenyl]-3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H- indol-1-carboxylat [German] [ACD/IUPAC Name]
4-[3-({2-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-méthylpropyl]-4-(éthoxycarbonyl)-1,3-oxazol-5-yl}méthyl)-2-méthoxyphényl]-3-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 225.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 853756.50
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 853440.63
Polar Surface Area: 169 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 683.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement