ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-{(2S)-2-[(1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)amino]-3-phenylpropanoyl}-L-alaninamide | C28H34N6O7

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-{(2S)-2-[(1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)amino]-3-phenylpropanoyl}-L-alaninamide

  • Molecular FormulaC28H34N6O7
  • Average mass566.606 Da
  • Monoisotopic mass566.248901 Da
  • ChemSpider ID4591032

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-N-[(2S)-1-oxo-3-phenyl-2-[(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)amino]propyl]- [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-{(2S)-2-[(1,4-dioxo-1,2,3,4-tétrahydro-6-phtalazinyl)amino]-3-phénylpropanoyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-{(2S)-2-[(1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)amino]-3-phenylpropanoyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-{(2S)-2-[(1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinyl)amino]-3-phenylpropanoyl}-L-alaninamide [ACD/IUPAC Name]
77303-12-9 [RN]
Boc-aapil
Boc-alanyl-alanyl-phenylalanine-isoluminolamide
Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
tert-Butyloxycarbonyl-ala-ala-phe-isoluminolamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.38
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.27
Polar Surface Area: 184 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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