ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-1-{[(2S)-1-(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)-4-methyl-1-oxo-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate | C20H33N3O7

2-Methyl-2-propanyl [(2S)-1-{[(2S)-1-(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)-4-methyl-1-oxo-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC20H33N3O7
  • Average mass427.492 Da
  • Monoisotopic mass427.231842 Da
  • ChemSpider ID58835910

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(2S)-1-{[(2S)-1-(1-Hydroxy-2,5-dioxo-3-pyrrolidinyl)-4-méthyl-1-oxo-2-pentanyl]amino}-3-méthyl-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-{[(2S)-1-(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)-4-methyl-1-oxo-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-{[(2S)-1-(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)-4-methyl-1-oxo-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[(1S)-1-[(1-hydroxy-2,5-dioxo-3-pyrrolidinyl)carbonyl]-3-methylbutyl]amino]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
84642-33-1 [RN]
N-BOC-L-VALINYL-L-LEUCINYL N-HYDROXYSUCCINIMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 91.23
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 83.29
Polar Surface Area: 142 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

Click to predict properties on the Chemicalize site


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