ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(2S)-2-{(2S,6S)-1-benzyl-6-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-5-oxo-2-piperazinyl}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-indole-1-carboxylate | C40H57N5O7

2-Methyl-2-propanyl 3-[(2S)-2-{(2S,6S)-1-benzyl-6-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-5-oxo-2-piperazinyl}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-indole-1-carboxylate

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID31146375
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1H-Indole-1-carboxylic acid, 3-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-[(2S,6S)-6-[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl]-5-oxo-1-(phenylmethyl)-2-piperazinyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(2S)-2-{(2S,6S)-1-benzyl-6-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-5-oxo-2-piperazinyl}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(2S)-2-{(2S,6S)-1-benzyl-6-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-5-oxo-2-piperazinyl}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-[(2S)-2-{(2S,6S)-1-Benzyl-6-[4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butyl]-5-oxo-2-pipérazinyl}-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-indole-1-carboxylate de 2-méthyl-2-propan yle [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: 1.570
Molar Refractivity: 201.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 14145.60
ACD/KOC (pH 5.5): 23407.23
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43934.34
ACD/KOC (pH 7.4): 72699.71
Polar Surface Area: 140 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 613.3±7.0 cm3

Click to predict properties on the Chemicalize site






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